data_2m1z_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2m1z _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.552 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 36.8 mtmm . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.577 0.227 . . . . 0.0 110.702 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -74.48 141.36 44.94 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.495 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 27.6 mmtp -90.75 114.1 26.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.483 -176.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.56 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 70.5 mt -134.77 139.88 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.55 0.214 . . . . 0.0 110.806 -177.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.897 HG23 ' HB2' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -118.28 146.06 23.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 171.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -144.23 132.26 21.61 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 121.251 -0.179 . . . . 0.0 110.7 -176.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.8 t -105.75 131.17 55.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.001 0.429 . . . . 0.0 110.859 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.6 p -119.38 126.39 51.28 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.639 176.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.42 ' N ' HG13 ' A' ' 65' ' ' VAL . . . -152.87 127.98 9.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.058 0.456 . . . . 0.0 111.622 -176.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.6 t -149.26 147.44 28.38 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.459 ' HA ' ' HB1' ' A' ' 43' ' ' ALA . . . -92.14 -75.14 0.49 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.019 0.438 . . . . 0.0 110.81 -177.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 p -95.56 94.52 7.81 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.298 0.571 . . . . 0.0 110.528 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 129.57 48.08 0.15 Allowed Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -175.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.7 m -66.98 -14.26 17.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 N-CA-C 111.722 0.268 . . . . 0.0 111.722 -176.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.46 -33.0 67.52 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 175.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -63.78 -53.03 57.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.163 174.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.49 HG21 HG21 ' A' ' 40' ' ' THR . 5.6 m -53.28 -53.87 44.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.687 -176.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.58 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 82.1 m-85 -67.56 -46.61 72.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.507 -176.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.6 tpp -61.67 -41.95 98.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.754 0.312 . . . . 0.0 110.786 -178.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.06 -47.56 82.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.575 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.47 -31.59 71.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.285 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 19' ' ' TYR . 27.3 mm-40 -76.5 -52.99 8.73 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 121.103 -0.239 . . . . 0.0 110.67 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.69 -43.44 98.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.952 0.406 . . . . 0.0 111.103 -177.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.3 tp -60.8 -42.31 97.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.679 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -64.89 -45.67 84.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.303 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -59.39 -48.12 82.84 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.057 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.26 -45.16 96.56 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.631 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.95 -39.42 94.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.934 0.397 . . . . 0.0 111.067 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -68.91 -38.81 79.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.527 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -64.21 -37.74 88.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.625 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 87.4 mmm -74.5 -21.2 59.68 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.646 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.91 51.91 2.91 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.764 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.552 ' HA ' ' HA ' ' A' ' 2' ' ' LYS . 42.8 m-80 -126.65 -177.85 4.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.702 0.287 . . . . 0.0 110.612 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.468 ' HG ' ' HB3' ' A' ' 2' ' ' LYS . 83.8 mt -120.51 110.2 16.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.793 177.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.56 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 15.6 tt -120.98 143.56 32.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.087 0.47 . . . . 0.0 111.161 -175.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.897 ' HB2' HG23 ' A' ' 6' ' ' ILE . 68.2 mmtt -115.49 102.73 10.07 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.285 175.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.5 t -96.81 116.65 39.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.005 0.431 . . . . 0.0 110.599 -177.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 28.8 tt0 -94.44 132.66 38.85 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.521 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.49 HG21 HG21 ' A' ' 18' ' ' THR . 56.5 m -118.69 113.38 21.09 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.775 0.321 . . . . 0.0 110.817 -176.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.839 ' HG2' HG12 ' A' ' 46' ' ' ILE . 20.0 mt-30 -103.69 115.69 30.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.72 175.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.02 63.85 3.79 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.254 -1.139 . . . . 0.0 110.254 171.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.459 ' HB1' ' HA ' ' A' ' 12' ' ' ALA . . . 75.5 -73.26 0.09 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 124.099 0.96 . . . . 0.0 110.581 -175.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.8 m -112.86 -33.63 6.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.035 0.445 . . . . 0.0 110.644 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.8 111.42 3.24 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.735 -177.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.839 HG12 ' HG2' ' A' ' 41' ' ' GLN . 40.1 mt -85.38 120.92 36.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -96.31 -16.93 21.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.769 0.319 . . . . 0.0 111.674 -174.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.463 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 65.5 t30 -140.68 82.46 1.85 Allowed 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.738 ' HG3' HD22 ' A' ' 71' ' ' ASN . 36.8 tt0 -76.2 111.65 11.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.227 -174.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 70.0 mt -82.01 117.16 22.01 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.063 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.2 p -82.09 176.64 9.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.737 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -53.73 -40.19 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.485 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.567 ' O ' HG13 ' A' ' 57' ' ' ILE . 25.1 ttpp -53.09 -55.95 19.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.299 176.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -66.09 -39.16 89.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.335 0.588 . . . . 0.0 110.544 -174.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.733 HG23 ' HG3' ' A' ' 74' ' ' ARG . 38.9 t -67.72 -32.23 55.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.598 -178.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -79.89 -21.35 44.11 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.824 177.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.567 HG13 ' O ' ' A' ' 53' ' ' LYS . 87.7 mt -68.8 -56.89 10.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 174.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.464 ' HA3' HG22 ' A' ' 6' ' ' ILE . . . -72.88 135.49 21.66 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.905 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 9.0 pt-20 -90.14 -45.15 9.31 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.371 -0.488 . . . . 0.0 110.961 -178.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.637 HG12 ' HB2' ' A' ' 99' ' ' ALA . 39.2 t -93.87 135.61 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.668 HG23 HD11 ' A' ' 6' ' ' ILE . 23.6 t -110.06 109.44 28.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.37 177.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.1 mt -91.22 128.46 42.98 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -112.92 107.77 16.46 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.744 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.641 ' HB3' ' HA ' ' A' ' 85' ' ' VAL . . . -118.3 90.69 3.39 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 173.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 10' ' ' ALA . 27.3 m -140.95 152.49 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.941 -170.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -105.21 -19.78 13.71 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.583 169.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.8 t -125.84 -172.96 2.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.257 -176.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -78.19 161.33 27.4 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.24 0.543 . . . . 0.0 111.703 -175.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.693 ' HB ' ' HB3' ' A' ' 72' ' ' LYS . 48.2 t -114.83 144.1 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.188 177.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.616 ' HB2' HD13 ' A' ' 46' ' ' ILE . 52.4 mtp180 -92.62 -40.87 10.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.899 0.38 . . . . 0.0 110.998 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.738 HD22 ' HG3' ' A' ' 49' ' ' GLU . 94.9 m-20 -79.32 -5.9 55.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.318 -178.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.693 ' HB3' ' HB ' ' A' ' 69' ' ' VAL . 22.1 pttp -48.42 -24.97 1.42 Allowed 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.488 0.492 . . . . 0.0 112.081 -177.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -51.67 -42.59 62.25 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.251 0.345 . . . . 0.0 111.706 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.733 ' HG3' HG23 ' A' ' 55' ' ' VAL . 12.2 ptp180 -80.98 -27.54 35.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.732 0.301 . . . . 0.0 111.596 -177.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.575 ' HB3' HG13 ' A' ' 61' ' ' VAL . 90.8 m-85 -77.67 -29.23 51.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.877 178.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -66.32 128.44 36.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.637 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.07 -10.88 48.22 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -176.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.431 ' HE2' ' O ' ' A' ' 55' ' ' VAL . 18.5 mtpp -100.56 174.19 6.2 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 176.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.9 p -84.53 121.28 36.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -177.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.636 HG11 ' HB ' ' A' ' 61' ' ' VAL . 3.2 m -121.92 160.23 23.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.584 0.706 . . . . 0.0 112.268 -170.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -129.46 103.22 6.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.522 175.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -93.86 121.85 35.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.396 -174.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.6 m -141.06 164.04 38.38 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.402 178.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -62.94 148.98 92.87 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.303 2.002 . . . . 0.0 111.214 173.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.641 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 12.7 p -64.31 -24.06 34.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.213 0.53 . . . . 0.0 111.075 -177.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.6 p -74.67 -20.13 60.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.938 178.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.578 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -63.67 -53.61 49.38 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -174.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.578 ' HD3' ' HB3' ' A' ' 87' ' ' ALA . 23.4 Cg_exo -65.55 -3.58 8.06 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 122.428 2.086 . . . . 0.0 113.208 -177.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 81.4 mt -83.25 -45.0 18.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.091 0.472 . . . . 0.0 110.257 176.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -96.53 -29.52 13.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.598 -176.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.472 ' O ' HG22 ' A' ' 95' ' ' VAL . 0.8 OUTLIER -130.95 42.99 3.17 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -173.659 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' A' ' 88' ' ' PRO . . . -52.37 -51.39 59.21 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -177.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -60.12 -33.15 71.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.142 0.496 . . . . 0.0 110.514 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.462 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 1.1 tppp? -71.6 -39.37 70.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.838 -178.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 91' ' ' ASP . 59.6 t -63.68 -38.83 83.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.46 177.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 92' ' ' ALA . 76.9 mt -63.11 -42.12 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.297 176.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -63.71 -36.73 84.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.712 176.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.69 -40.22 96.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.637 ' HB2' HG12 ' A' ' 60' ' ' VAL . . . -60.29 -42.17 94.92 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.319 0.581 . . . . 0.0 110.163 176.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.97 -29.09 69.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.754 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.11 -19.15 62.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.753 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.02 -21.34 31.67 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.642 0.258 . . . . 0.0 111.336 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.0 pt -113.9 -24.98 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -177.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.1 t70 . . . . . 0 C--N 1.325 -0.462 0 CA-C-O 120.768 0.318 . . . . 0.0 110.42 -174.749 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 46.2 pttt . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 121.362 0.601 . . . . 0.0 111.393 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -84.47 133.7 34.47 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 176.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.524 ' HG3' ' HG3' ' A' ' 59' ' ' GLU . 4.6 ptpt -92.56 116.6 29.14 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.35 0.595 . . . . 0.0 110.983 -177.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.492 HG21 HG21 ' A' ' 60' ' ' VAL . 50.1 mt -129.38 140.43 49.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.478 -174.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.778 HD11 HG22 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -114.52 137.15 48.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 173.198 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.465 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -138.0 132.31 32.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.832 0.348 . . . . 0.0 111.006 -175.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -108.84 116.2 51.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.474 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.1 p -100.97 114.13 27.75 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.201 174.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.652 ' HA ' ' O ' ' A' ' 41' ' ' GLN . . . -136.37 109.14 7.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.171 0.51 . . . . 0.0 111.128 -177.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.405 ' HB2' HG21 ' A' ' 85' ' ' VAL . 45.5 t -119.4 128.44 54.05 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.585 -178.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.08 -10.65 17.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.356 177.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.3 m -84.74 -51.53 6.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.467 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.4 108.53 0.7 Allowed Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.564 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.4 t -56.33 -32.14 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.877 0.37 . . . . 0.0 111.278 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.03 -35.48 71.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.969 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.7 m170 -66.27 -33.13 75.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.155 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.401 HG23 HG23 ' A' ' 40' ' ' THR . 25.6 m -58.32 -51.64 68.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.125 0.488 . . . . 0.0 110.8 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -75.95 -33.64 59.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.848 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.432 ' SD ' HD12 ' A' ' 89' ' ' ILE . 48.7 ttm -62.64 -48.84 77.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.852 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.459 ' HA ' HG12 ' A' ' 89' ' ' ILE . . . -65.37 -47.82 75.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.943 -177.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.01 -42.7 85.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.513 -178.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -70.49 -47.43 60.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.279 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.55 -43.3 90.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.042 0.448 . . . . 0.0 110.951 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.572 ' HB2' ' HB2' ' A' ' 88' ' ' PRO . 57.9 tp -60.67 -48.95 79.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.983 177.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -67.91 -30.31 69.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -62.45 -48.09 81.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.017 177.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.66 -40.8 96.07 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.744 177.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.494 ' HB3' HD22 ' A' ' 34' ' ' ASN . . . -62.22 -48.26 80.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.999 0.428 . . . . 0.0 111.166 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -64.66 -32.07 73.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.253 0.549 . . . . 0.0 110.151 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.493 ' HZ1' ' CD ' ' A' ' 93' ' ' GLU . 27.4 ttpp -67.57 -30.29 69.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.545 178.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 21.8 mmt -80.99 -28.36 35.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.74 -179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.88 18.73 17.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.546 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.619 ' HA ' ' HA ' ' A' ' 2' ' ' LYS . 1.7 p-10 -104.42 168.22 9.24 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.031 0.443 . . . . 0.0 110.998 178.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.7 mt -100.5 130.42 46.58 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.674 -178.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.489 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 17.4 tt -137.34 139.34 43.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.231 0.539 . . . . 0.0 111.344 -176.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.07 102.25 9.46 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.253 177.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 3.6 m -93.99 130.2 43.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.079 0.466 . . . . 0.0 111.55 -179.144 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.648 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 36.8 tt0 -103.94 137.95 41.2 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.832 176.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.472 ' OG1' ' HB3' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -106.45 111.53 24.14 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.493 179.812 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.652 ' O ' ' HA ' ' A' ' 10' ' ' ALA . 7.8 tt0 -131.92 163.14 29.0 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.61 -72.57 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.24 -0.981 . . . . 0.0 112.138 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.86 122.1 4.64 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.1 p 52.75 26.89 4.81 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.484 0.713 . . . . 0.0 111.951 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.58 118.2 0.81 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.884 -175.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 50.2 mt -110.96 127.7 67.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 175.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.472 ' HB3' ' OG1' ' A' ' 40' ' ' THR . 40.1 tt0 -90.94 -63.48 1.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.06 -175.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.459 ' HB3' ' HA ' ' A' ' 39' ' ' GLU . 19.3 t-20 -69.95 -47.15 63.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.304 -175.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 63.38 87.97 0.1 Allowed 'General case' 0 C--O 1.236 0.345 0 O-C-N 123.726 0.641 . . . . 0.0 110.442 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.648 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 84.6 mt -66.01 110.99 3.13 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.537 0.684 . . . . 0.0 111.21 -177.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.464 ' O ' HG21 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -74.42 156.6 36.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.431 -178.495 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -53.34 -39.27 63.97 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.904 -175.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.533 ' O ' HG13 ' A' ' 57' ' ' ILE . 24.5 mtpp -53.78 -56.92 13.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.919 177.14 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.25 -33.84 75.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -177.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.464 HG21 ' O ' ' A' ' 51' ' ' THR . 89.1 t -63.43 -39.47 85.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.175 178.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -83.23 -18.66 38.47 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.73 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 53' ' ' LYS . 77.2 mt -72.78 -63.12 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 173.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.494 ' HA3' HG23 ' A' ' 6' ' ' ILE . . . -55.91 126.67 40.85 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.338 177.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.524 ' HG3' ' HG3' ' A' ' 4' ' ' LYS . 35.0 mt-10 -84.99 -59.68 2.27 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -177.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.492 HG21 HG21 ' A' ' 5' ' ' ILE . 15.9 m -95.39 145.98 7.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.287 176.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.778 HG22 HD11 ' A' ' 6' ' ' ILE . 12.4 t -112.23 140.51 31.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.913 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.429 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 68.9 mt -119.45 131.14 72.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 176.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -116.56 110.89 19.16 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.755 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.464 ' HB2' ' HA ' ' A' ' 85' ' ' VAL . . . -114.53 91.22 3.55 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 174.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.505 HG13 ' HB1' ' A' ' 10' ' ' ALA . 29.7 m -142.79 156.21 17.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.094 -169.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -101.59 -35.46 9.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.055 168.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.4 t -107.33 -171.8 1.95 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.946 -1.025 . . . . 0.0 110.151 -175.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -78.23 157.63 29.24 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.745 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.495 ' HB ' ' HB3' ' A' ' 72' ' ' LYS . 61.1 t -115.22 133.9 60.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.907 174.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -67.32 -55.71 12.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.306 0.574 . . . . 0.0 110.717 175.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.581 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 87.2 m-20 -71.62 -6.2 39.15 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.766 -170.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.495 ' HB3' ' HB ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -55.6 -23.5 27.71 Favored 'General case' 0 C--O 1.221 -0.428 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 177.407 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -47.42 -44.76 24.95 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.379 0.672 . . . . 0.0 112.445 177.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.581 ' HG2' ' O ' ' A' ' 71' ' ' ASN . 7.7 ptp180 -81.24 -26.87 35.51 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.975 0.417 . . . . 0.0 111.232 -176.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.557 ' CE1' HG13 ' A' ' 6' ' ' ILE . 38.5 m-85 -84.32 -13.12 53.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.452 178.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -63.83 -32.31 73.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.168 -176.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -90.34 9.93 75.92 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.949 176.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -116.66 -174.49 2.58 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.6 p -97.34 118.68 44.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.948 0.404 . . . . 0.0 110.454 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.633 HG13 ' HB ' ' A' ' 61' ' ' VAL . 2.8 m -121.56 157.42 25.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.298 0.57 . . . . 0.0 111.829 -174.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.465 ' HB2' HD11 ' A' ' 102' ' ' LEU . 2.5 tm? -126.5 111.63 14.63 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 173.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -95.61 131.75 41.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.961 -174.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.5 m -142.27 163.67 38.14 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.166 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -64.43 153.75 75.29 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.214 1.943 . . . . 0.0 110.952 171.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.464 ' HA ' ' HB2' ' A' ' 64' ' ' ALA . 9.4 p -65.07 -25.85 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.024 0.44 . . . . 0.0 111.076 -177.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.451 ' HA ' HD13 ' A' ' 89' ' ' ILE . 30.4 t -74.49 -21.3 59.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.012 0.434 . . . . 0.0 111.179 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.0 -55.36 38.27 Favored Pre-proline 0 CA--C 1.537 0.46 0 N-CA-C 112.737 0.644 . . . . 0.0 112.737 -173.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.572 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 57.8 Cg_endo -69.27 -7.2 20.26 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 121.962 1.775 . . . . 0.0 112.994 -176.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.459 HG12 ' HA ' ' A' ' 21' ' ' ALA . 68.7 mt -77.92 -43.24 28.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.276 0.56 . . . . 0.0 109.737 176.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -97.05 -43.41 7.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.43 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.453 ' HB3' ' HB3' ' A' ' 94' ' ' LYS . 41.3 m-20 -115.36 40.92 2.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.538 -169.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.598 ' O ' HG13 ' A' ' 95' ' ' VAL . . . -56.87 -38.87 73.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.855 0.359 . . . . 0.0 110.959 178.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.493 ' CD ' ' HZ1' ' A' ' 31' ' ' LYS . 6.7 mm-40 -59.09 -40.88 86.64 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.286 0.565 . . . . 0.0 110.433 176.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.66 ' HA ' ' HE3' ' A' ' 94' ' ' LYS . 1.8 tpmt? -73.61 -41.72 62.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.52 -175.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.598 HG13 ' O ' ' A' ' 92' ' ' ALA . 5.3 p -65.59 -39.56 85.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.375 -178.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.402 ' O ' HD23 ' A' ' 100' ' ' LEU . 80.4 mt -59.25 -50.94 77.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.544 174.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -61.59 -36.12 79.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.197 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.56 -36.99 84.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.299 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.88 94.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.688 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 96' ' ' ILE . 4.4 mm? -63.66 -30.66 71.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.105 177.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.0 -17.4 64.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.848 0.356 . . . . 0.0 111.382 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.465 HD11 ' HB2' ' A' ' 81' ' ' LEU . 94.0 mt -75.33 -26.92 59.02 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.509 -179.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.405 HG13 ' N ' ' A' ' 104' ' ' ASP . 19.6 pt -128.37 -49.05 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -175.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.405 ' N ' HG13 ' A' ' 103' ' ' ILE . 27.8 m-20 . . . . . 0 C--N 1.327 -0.388 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -172.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp . . . . . 0 N--CA 1.472 0.628 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.431 ' HD2' ' CG ' ' A' ' 59' ' ' GLU . 2.9 tpp180 -155.32 143.95 20.5 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.806 172.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -79.86 122.0 26.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.092 0.472 . . . . 0.0 110.737 176.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 67.8 mt -127.2 133.89 67.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.29 176.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.567 ' H ' HD12 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -111.8 132.5 60.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 120.907 0.384 . . . . 0.0 110.147 177.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.469 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -135.98 129.59 32.33 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.863 -176.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.641 HG11 HG22 ' A' ' 69' ' ' VAL . 61.9 t -108.8 131.04 60.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.112 0.482 . . . . 0.0 110.618 178.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.479 ' O ' ' HA ' ' A' ' 40' ' ' THR . 17.0 p -115.6 115.94 27.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.373 175.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.509 ' HA ' ' O ' ' A' ' 41' ' ' GLN . . . -139.61 106.59 5.43 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.833 0.349 . . . . 0.0 111.27 -175.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.605 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 52.2 t -148.26 126.03 11.88 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.941 179.054 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.627 ' HB1' HG21 ' A' ' 67' ' ' THR . . . -108.91 -19.37 13.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.033 -178.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.469 ' HG1' ' CG ' ' A' ' 66' ' ' ASP . 40.4 p -76.83 -42.0 42.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.243 0.544 . . . . 0.0 110.468 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -126.38 79.62 0.37 Allowed Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.403 177.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 m -60.25 -28.68 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -174.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.8 -27.79 67.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.099 0.476 . . . . 0.0 110.819 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -74.52 -38.99 62.65 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.605 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 1.5 m -59.96 -58.61 7.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.463 -178.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -66.08 -27.59 68.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.587 -175.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.8 tpp -67.21 -58.64 4.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.242 176.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.11 -39.78 83.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.137 -177.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.511 ' O ' ' HG3' ' A' ' 26' ' ' LYS . . . -53.94 -57.23 11.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.15 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.496 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 76.6 mt-30 -71.96 -33.7 68.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.166 -177.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.77 -43.41 94.36 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.887 0.375 . . . . 0.0 110.482 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.542 HD21 ' HB3' ' A' ' 88' ' ' PRO . 84.0 mt -61.25 -44.03 97.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.099 175.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 54.8 mtpt -63.24 -36.46 83.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' A' ' 23' ' ' GLN . 89.6 mttt -70.58 -52.58 20.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.156 0.503 . . . . 0.0 110.618 177.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.91 -20.46 48.7 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.972 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.411 ' HB2' HG22 ' A' ' 36' ' ' ILE . . . -54.8 -49.07 71.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.629 0.252 . . . . 0.0 111.244 177.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -69.45 -28.01 65.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.096 0.474 . . . . 0.0 110.765 -177.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.51 ' HD3' ' HG2' ' A' ' 93' ' ' GLU . 86.3 tttt -70.94 -30.23 66.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.219 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.758 ' HE2' ' HA ' ' A' ' 32' ' ' MET . 10.1 mmt -92.62 -14.43 28.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.224 176.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.23 21.16 65.57 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.989 176.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.506 ' C ' HD21 ' A' ' 34' ' ' ASN . 0.3 OUTLIER -115.08 173.08 6.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.652 0.263 . . . . 0.0 111.222 -178.712 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 62.0 mt -111.21 107.57 16.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.035 -176.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.42 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 14.6 tt -106.93 143.31 17.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.193 0.52 . . . . 0.0 110.62 -176.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.423 ' HB2' HG22 ' A' ' 6' ' ' ILE . 13.9 mmmm -116.14 104.34 11.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.064 175.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.469 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 61.3 t -96.56 126.33 49.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.393 0.616 . . . . 0.0 111.505 -175.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.854 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 29.4 tt0 -102.18 147.75 26.26 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.941 175.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' A' ' 9' ' ' THR . 87.3 m -133.72 120.6 20.78 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 120.655 0.264 . . . . 0.0 110.907 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.615 ' HG2' HG12 ' A' ' 46' ' ' ILE . 10.9 mt-30 -121.26 148.18 44.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.165 175.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -94.85 -69.3 1.06 Allowed Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 169.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -143.37 -49.06 0.31 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.086 0.469 . . . . 0.0 109.812 173.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.4 m -119.15 -28.85 5.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.243 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -87.0 129.86 9.7 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.688 -175.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.615 HG12 ' HG2' ' A' ' 41' ' ' GLN . 47.8 mt -109.44 129.75 63.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.42 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 33.1 tt0 -85.99 -32.87 21.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.757 0.313 . . . . 0.0 111.047 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -147.28 94.14 2.35 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 -177.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -68.56 127.66 33.83 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.17 0.509 . . . . 0.0 111.397 -177.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.854 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 78.2 mt -87.6 136.6 32.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.325 175.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.641 ' O ' HG21 ' A' ' 55' ' ' VAL . 77.5 p -90.62 158.58 16.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.724 -178.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -59.38 -35.01 73.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.725 0.298 . . . . 0.0 110.598 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -68.06 -34.74 77.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.92 178.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.17 -43.74 94.21 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.196 0.522 . . . . 0.0 109.984 174.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.641 HG21 ' O ' ' A' ' 51' ' ' THR . 21.2 t -71.52 -31.12 41.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.14 -176.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -74.55 -48.56 26.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.841 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.8 mm -69.81 -29.47 40.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.855 0.36 . . . . 0.0 110.339 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.6 140.58 42.88 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.87 172.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.431 ' CG ' ' HD2' ' A' ' 3' ' ' ARG . 61.1 mm-40 -87.0 -46.45 9.82 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.095 0.474 . . . . 0.0 110.488 -178.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.2 m -125.85 148.43 30.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.013 -176.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.625 ' HB ' HG12 ' A' ' 80' ' ' VAL . 40.9 t -112.14 141.54 27.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.376 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.912 HD13 ' HB1' ' A' ' 99' ' ' ALA . 24.5 mm -113.22 131.65 64.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 120.776 0.322 . . . . 0.0 110.132 174.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -119.06 104.18 10.23 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.209 176.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.623 ' HB3' ' HA ' ' A' ' 85' ' ' VAL . . . -107.63 90.84 3.42 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 172.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 32.6 m -136.3 157.29 37.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.664 0.745 . . . . 0.0 112.715 -170.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.469 ' CG ' ' HG1' ' A' ' 13' ' ' THR . 0.0 OUTLIER -128.01 -27.76 2.72 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.197 -1.365 . . . . 0.0 108.552 170.812 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.627 HG21 ' HB1' ' A' ' 12' ' ' ALA . 10.2 p -113.72 -166.0 1.05 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.045 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.426 ' H ' ' HB ' ' A' ' 67' ' ' THR . 81.7 tttt -87.8 136.23 33.05 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.083 -172.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.641 HG22 HG11 ' A' ' 8' ' ' VAL . 0.8 OUTLIER -115.82 129.15 72.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.313 174.224 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 71' ' ' ASN . 0.0 OUTLIER -85.46 -24.62 27.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.266 0.555 . . . . 0.0 110.717 -170.246 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.415 ' HA ' HH21 ' A' ' 74' ' ' ARG . 83.1 m-20 -82.71 -5.83 59.08 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.233 -179.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.556 ' HE3' HG11 ' A' ' 69' ' ' VAL . 41.1 ttmt -49.42 -28.78 5.55 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.677 0.611 . . . . 0.0 111.081 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.459 ' HB2' ' NH2' ' A' ' 74' ' ' ARG . 38.9 mt-10 -52.96 -37.81 61.46 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.733 177.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.459 ' NH2' ' HB2' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -62.71 -46.32 88.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.333 0.587 . . . . 0.0 110.482 179.748 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.534 ' HD2' ' HA ' ' A' ' 72' ' ' LYS . 4.3 m-85 -83.48 -0.46 50.24 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.738 -174.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -60.56 -47.07 87.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 -178.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -88.68 4.32 85.04 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.562 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.407 ' CE ' HG11 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -105.9 -177.04 3.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.818 0.342 . . . . 0.0 110.919 179.769 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.9 t -100.03 117.93 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.084 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.625 HG12 ' HB ' ' A' ' 61' ' ' VAL . 1.9 m -124.46 152.02 30.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.234 0.54 . . . . 0.0 111.744 -174.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.509 ' HB3' HD11 ' A' ' 62' ' ' ILE . 2.4 tm? -119.96 106.13 11.73 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 172.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -98.21 132.34 43.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -174.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.6 m -142.87 167.02 17.27 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.3 -178.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -59.77 146.8 94.62 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.469 2.113 . . . . 0.0 111.302 172.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.623 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 14.4 p -62.26 -31.63 52.22 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 -173.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.4 m -75.36 -19.35 59.62 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.599 ' HB2' ' HD3' ' A' ' 88' ' ' PRO . . . -57.85 -54.22 57.65 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -175.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.599 ' HD3' ' HB2' ' A' ' 87' ' ' ALA . 12.7 Cg_exo -71.76 4.02 3.4 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.382 2.055 . . . . 0.0 113.522 -177.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 27.1 mt -67.97 -50.17 61.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 110.607 178.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -96.2 -37.57 10.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.139 0.495 . . . . 0.0 110.792 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.759 ' HB3' ' HB2' ' A' ' 94' ' ' LYS . 28.4 m-20 -104.87 41.86 1.28 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.893 -170.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.716 ' O ' HG11 ' A' ' 95' ' ' VAL . . . -59.43 -44.15 92.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.72 0.295 . . . . 0.0 111.558 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.51 ' HG2' ' HD3' ' A' ' 31' ' ' LYS . 2.2 mp0 -68.09 -30.59 69.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.274 0.559 . . . . 0.0 110.263 178.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.759 ' HB2' ' HB3' ' A' ' 91' ' ' ASP . 74.9 mmtt -74.05 -40.83 62.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.944 -177.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.716 HG11 ' O ' ' A' ' 92' ' ' ALA . 3.1 p -65.48 -37.49 80.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.144 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 92' ' ' ALA . 73.8 mt -62.21 -46.49 96.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.314 174.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -61.41 -38.45 87.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 177.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.67 -39.68 92.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.661 177.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.912 ' HB1' HD13 ' A' ' 62' ' ' ILE . . . -67.79 -45.38 74.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.037 0.446 . . . . 0.0 110.814 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 98.4 mt -59.14 -27.7 65.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.63 177.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.97 -21.95 66.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.826 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.63 -18.16 57.05 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.551 0.204 . . . . 0.0 111.551 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 21.7 pt -115.58 -30.82 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -178.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 C--N 1.327 -0.41 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.524 -177.787 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.574 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 52.6 mttp . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -63.58 134.39 55.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.257 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.415 ' CB ' ' HA2' ' A' ' 58' ' ' GLY . 39.7 mmtm -81.89 110.05 16.82 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 178.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.55 HG22 HD11 ' A' ' 62' ' ' ILE . 67.5 mt -117.28 130.96 71.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.317 -176.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.538 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -115.84 125.84 73.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 168.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -132.55 139.17 47.75 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.815 -174.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.467 HG13 ' HB3' ' A' ' 39' ' ' GLU . 52.8 t -118.78 126.31 75.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.382 178.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.469 HG23 ' HB1' ' A' ' 64' ' ' ALA . 35.7 p -107.06 131.4 54.13 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 173.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -145.74 112.91 6.14 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.858 0.361 . . . . 0.0 111.188 -177.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.0 t -152.25 127.14 9.62 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.91 -21.66 13.95 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.724 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.2 p -94.64 110.06 21.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.414 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.35 71.03 1.09 Allowed Glycine 0 N--CA 1.443 -0.871 0 N-CA-C 110.172 -1.171 . . . . 0.0 110.172 -171.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.5 p -52.14 -23.64 4.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 123.312 0.645 . . . . 0.0 112.606 -175.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.8 -25.9 65.31 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.656 0.265 . . . . 0.0 111.14 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -58.54 -50.31 74.25 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.737 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.585 HG23 HG22 ' A' ' 40' ' ' THR . 3.4 m -62.1 -26.44 68.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.325 -176.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -90.41 -44.19 9.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.023 -178.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.4 tpt -63.73 -41.91 97.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.256 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.13 -45.25 89.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.46 98.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.473 -178.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.418 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 3.5 pt20 -76.6 -36.48 57.48 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.318 -177.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.69 -40.84 79.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.066 0.46 . . . . 0.0 110.132 177.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.52 ' HA ' ' HB3' ' A' ' 92' ' ' ALA . 60.9 tp -63.02 -39.64 95.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.332 175.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -62.07 -40.51 96.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.086 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 23' ' ' GLN . 34.0 mmtp -62.63 -48.99 76.95 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.529 175.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.4 ' O ' ' HB3' ' A' ' 31' ' ' LYS . . . -58.87 -37.04 90.08 Favored Glycine 0 CA--C 1.517 0.159 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.394 178.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.49 -45.85 82.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.593 0.235 . . . . 0.0 110.799 178.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -69.94 -27.29 64.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.408 178.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 24.4 tptm -61.82 -40.96 97.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.077 177.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.403 ' HB2' ' ND2' ' A' ' 34' ' ' ASN . 92.4 mmm -93.89 -9.84 35.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.302 -177.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.74 58.5 3.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.981 177.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.403 ' ND2' ' HB2' ' A' ' 32' ' ' MET . 36.5 m-80 -124.42 178.33 5.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.784 0.326 . . . . 0.0 110.507 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.574 ' HG ' ' HB3' ' A' ' 2' ' ' LYS . 95.2 mt -114.87 114.1 25.07 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 175.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.8 tt -118.68 140.74 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 CA-C-O 121.554 0.692 . . . . 0.0 111.751 -172.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.944 ' HG3' HD22 ' A' ' 50' ' ' LEU . 1.3 tpmt? -116.48 100.46 7.88 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.761 -1.109 . . . . 0.0 108.424 174.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.1 p -99.96 130.65 48.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.357 0.599 . . . . 0.0 111.834 -174.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.535 ' CD ' HG23 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -100.28 151.85 20.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.331 176.747 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.585 HG22 HG23 ' A' ' 18' ' ' THR . 22.2 m -128.19 97.82 4.89 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.776 0.322 . . . . 0.0 110.461 -177.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.618 HE22 ' HA ' ' A' ' 69' ' ' VAL . 18.6 mt-30 -94.59 107.87 19.85 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 174.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.95 -11.42 74.2 Favored Glycine 0 CA--C 1.516 0.145 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.517 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -169.24 -128.01 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 m -85.76 -5.03 59.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.439 0.637 . . . . 0.0 109.332 172.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.08 163.23 29.07 Favored Glycine 0 C--N 1.334 0.444 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.909 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.535 HG23 ' CD ' ' A' ' 39' ' ' GLU . 3.9 mp -117.14 139.21 45.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 122.011 0.124 . . . . 0.0 111.05 -173.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -104.03 -62.22 1.34 Allowed 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -80.51 -43.34 20.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.517 -172.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 69.9 107.01 0.06 Allowed 'General case' 0 C--O 1.233 0.221 0 O-C-N 124.208 0.942 . . . . 0.0 110.934 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.944 HD22 ' HG3' ' A' ' 37' ' ' LYS . 16.6 mt -81.85 104.32 12.14 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 175.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.426 ' O ' HG23 ' A' ' 55' ' ' VAL . 46.7 p -59.45 150.86 25.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.969 -175.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -55.56 -37.38 67.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.712 -178.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -69.26 -43.83 73.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.343 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -65.15 -32.21 73.79 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.033 0.444 . . . . 0.0 110.831 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.502 HG12 ' HG3' ' A' ' 74' ' ' ARG . 76.5 t -71.02 -35.91 61.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.249 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -73.19 -31.26 64.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.757 0.313 . . . . 0.0 110.606 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.3 mm -71.07 -48.69 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 174.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.506 ' HA3' HG23 ' A' ' 6' ' ' ILE . . . -61.29 138.89 47.4 Favored Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 176.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -98.8 -59.07 1.81 Allowed 'General case' 0 C--N 1.317 -0.828 0 O-C-N 122.639 -0.33 . . . . 0.0 110.843 -175.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.6 m -95.37 139.38 18.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.538 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 18.4 t -109.86 117.97 55.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.388 -179.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.55 HD11 HG22 ' A' ' 5' ' ' ILE . 2.1 mp -101.55 122.52 53.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.074 0.464 . . . . 0.0 110.148 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -107.84 106.14 16.28 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 177.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.469 ' HB1' HG23 ' A' ' 9' ' ' THR . . . -107.02 90.58 3.34 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 171.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.1 m -136.69 161.0 37.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 121.421 0.629 . . . . 0.0 112.022 -169.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -120.11 -32.7 4.11 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.0 171.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.0 t -106.61 -168.68 1.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.188 174.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -93.15 169.45 10.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.006 0.431 . . . . 0.0 111.048 -176.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.618 ' HA ' HE22 ' A' ' 41' ' ' GLN . 19.1 m -127.88 149.48 32.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.559 -172.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.514 ' HB3' HD13 ' A' ' 46' ' ' ILE . 76.0 ttt180 -94.44 -30.53 14.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.115 0.483 . . . . 0.0 110.494 175.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.55 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 51.5 m-80 -67.29 -13.46 62.01 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.715 -176.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.516 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 23.7 tptm -51.13 -31.73 20.49 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 122.914 0.486 . . . . 0.0 112.057 -176.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -52.79 -46.47 67.62 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -176.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.55 ' HG2' ' O ' ' A' ' 71' ' ' ASN . 11.8 ptp180 -75.63 -13.73 60.34 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -174.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.741 ' HZ ' HD12 ' A' ' 50' ' ' LEU . 25.6 m-85 -91.84 0.82 57.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.598 0.237 . . . . 0.0 111.471 -178.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -63.88 134.27 54.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.761 0.315 . . . . 0.0 110.673 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.27 2.45 90.36 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.275 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.737 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 25.7 mtpp -108.24 179.89 4.08 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.44 HG11 HG23 ' A' ' 103' ' ' ILE . 40.8 t -87.7 124.79 41.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -177.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.4 t -120.36 137.89 52.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.314 0.578 . . . . 0.0 111.931 -172.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -127.87 109.49 11.66 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 174.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -106.29 125.34 50.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.718 -174.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.4 m -139.77 161.81 54.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.886 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -61.17 146.08 97.95 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.495 2.13 . . . . 0.0 111.323 174.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.7 p -64.28 -23.13 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.185 0.516 . . . . 0.0 111.395 -175.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 p -75.09 -24.67 58.17 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.54 -52.98 48.59 Favored Pre-proline 0 CA--C 1.541 0.597 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 -172.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.479 ' O ' ' HB1' ' A' ' 92' ' ' ALA . 74.4 Cg_endo -71.76 1.78 5.38 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 122.237 1.958 . . . . 0.0 113.573 -172.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 67.6 mt -73.22 -44.12 56.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.188 0.518 . . . . 0.0 109.775 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -96.82 -53.79 3.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.62 175.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.755 ' HB3' ' HB3' ' A' ' 94' ' ' LYS . 22.0 m-20 -94.71 42.62 1.09 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.679 -170.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.52 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . . . -58.48 -47.45 84.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.289 0.566 . . . . 0.0 110.726 -174.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -70.73 -26.59 63.45 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.006 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.755 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 28.1 tptp -72.23 -35.98 68.99 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.564 HG21 ' O ' ' A' ' 91' ' ' ASP . 89.8 t -64.72 -40.63 89.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.393 175.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.7 -44.44 98.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.065 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -61.42 -33.46 73.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.752 178.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.81 -40.53 91.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.521 176.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.21 -43.04 96.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.956 0.408 . . . . 0.0 110.457 177.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.427 HD11 HD11 ' A' ' 103' ' ' ILE . 4.2 mm? -61.9 -31.65 71.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.792 175.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.54 -17.64 64.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.446 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.02 -15.41 41.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.571 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.44 HG23 HG11 ' A' ' 79' ' ' VAL . 31.0 pt -119.57 -18.21 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.3 t70 . . . . . 0 C--N 1.326 -0.424 0 CA-C-O 120.433 0.158 . . . . 0.0 110.872 -175.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.495 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 85.6 mttt . . . . . 0 N--CA 1.465 0.302 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.74 129.99 44.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 0.0 110.317 -176.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.567 ' HZ2' HD12 ' A' ' 35' ' ' LEU . 72.2 mmtt -78.66 105.91 10.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.736 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 48.7 mt -122.33 132.39 71.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 120.983 0.421 . . . . 0.0 110.969 -175.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.693 ' HB ' HD21 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -111.39 131.94 61.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.665 176.211 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.479 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -134.48 140.2 46.04 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.903 0.382 . . . . 0.0 111.053 -175.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.7 t -122.02 117.57 52.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.198 176.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.524 HG23 ' HB2' ' A' ' 64' ' ' ALA . 21.9 p -99.84 123.75 44.43 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.471 175.211 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.603 ' HA ' ' O ' ' A' ' 41' ' ' GLN . . . -141.88 98.05 3.26 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.733 -174.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.478 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 53.6 t -137.87 107.79 6.32 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.342 177.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.07 -32.82 33.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.15 177.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 m -60.19 -46.95 87.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.742 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -129.94 86.0 0.31 Allowed Glycine 0 N--CA 1.443 -0.854 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 177.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.3 p -62.97 -29.14 46.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.661 0.267 . . . . 0.0 111.363 -176.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.94 -31.74 72.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.04 0.448 . . . . 0.0 110.463 177.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -68.11 -41.52 81.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.867 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.478 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 28.8 m -56.19 -50.81 70.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.217 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.406 ' N ' ' HD1' ' A' ' 19' ' ' TYR . 2.0 m-30 -71.07 -39.85 71.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.997 -175.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.9 ttt -66.34 -40.8 90.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.557 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.415 ' HA ' HG12 ' A' ' 89' ' ' ILE . . . -60.97 -48.61 81.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.414 ' HA ' HG11 ' A' ' 38' ' ' VAL . . . -56.73 -41.28 77.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -71.14 -48.4 52.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.104 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.85 -39.14 93.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.038 0.447 . . . . 0.0 111.076 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.7 tp -64.97 -39.29 93.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.587 177.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -70.1 -28.99 65.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.437 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -65.81 -42.39 90.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.692 176.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.86 -39.46 96.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.736 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.62 -37.83 87.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.501 0.191 . . . . 0.0 110.554 176.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -66.47 -38.34 87.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.821 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -65.99 -53.88 33.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.308 0.575 . . . . 0.0 110.622 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.3 mmt -73.72 -29.0 62.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.243 -177.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.04 57.55 1.3 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.434 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -128.32 170.89 12.55 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.567 HD12 ' HZ2' ' A' ' 4' ' ' LYS . 79.0 mt -116.03 109.45 17.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.951 0.405 . . . . 0.0 110.035 178.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.464 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 16.3 tt -119.78 141.85 38.01 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.787 -176.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.41 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 15.5 mmtp -115.16 104.55 11.97 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.53 176.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 15.6 t -101.94 121.15 52.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.094 -176.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 40.1 tt0 -94.42 140.63 29.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.586 177.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.0 p -110.79 106.96 16.31 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.999 0.428 . . . . 0.0 110.311 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.603 ' O ' ' HA ' ' A' ' 10' ' ' ALA . 6.5 tt0 -118.3 101.15 7.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.434 -175.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.92 -76.83 1.25 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.367 -0.92 . . . . 0.0 111.91 -177.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.473 ' C ' ' H ' ' A' ' 45' ' ' GLY . . . -143.06 93.7 2.53 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.8 p 59.59 -5.7 0.07 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.521 1.129 . . . . 0.0 113.597 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.473 ' H ' ' C ' ' A' ' 43' ' ' ALA . . . -99.88 113.89 4.85 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 176.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.7 mm -97.81 115.56 38.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 120.429 0.157 . . . . 0.0 111.132 -173.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -109.75 132.74 53.87 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 173.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.438 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 6.8 t30 63.9 71.33 0.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 O-C-N 124.221 0.95 . . . . 0.0 109.3 -171.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.06 110.82 1.94 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.865 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.693 HD21 ' HB ' ' A' ' 6' ' ' ILE . 12.8 tp -77.37 99.77 5.69 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-O 121.3 0.571 . . . . 0.0 109.954 -178.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.456 ' O ' HG22 ' A' ' 55' ' ' VAL . 13.5 t -82.6 168.33 17.43 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.441 -170.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -55.16 -38.85 68.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.207 -173.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.418 ' O ' HG12 ' A' ' 57' ' ' ILE . 72.8 mmtt -56.87 -49.26 76.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.543 0.211 . . . . 0.0 111.136 -179.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -65.89 -42.19 90.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.07 0.462 . . . . 0.0 110.693 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.708 HG11 ' HG3' ' A' ' 74' ' ' ARG . 59.7 t -66.4 -39.03 83.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.012 -175.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -73.12 -34.16 65.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.528 0.204 . . . . 0.0 111.021 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 53' ' ' LYS . 37.6 mm -72.82 -48.97 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.747 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.57 135.08 41.66 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.786 178.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.61 -43.75 7.44 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 122.514 -0.403 . . . . 0.0 111.517 -175.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.451 HG21 HG21 ' A' ' 5' ' ' ILE . 14.0 m -103.56 136.02 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.112 0.482 . . . . 0.0 110.91 179.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.573 HG22 HD13 ' A' ' 6' ' ' ILE . 11.8 t -110.23 135.76 48.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.004 -178.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.8 mt -115.86 117.9 57.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 120.978 0.418 . . . . 0.0 110.243 176.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -104.1 94.42 5.37 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.364 176.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.524 ' HB2' HG23 ' A' ' 9' ' ' THR . . . -95.59 91.44 6.14 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 172.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.1 m -132.79 -175.44 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 121.723 0.773 . . . . 0.0 112.572 -168.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -153.62 -34.7 0.11 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.185 -1.371 . . . . 0.0 108.406 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.4 t -110.03 -172.15 1.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.548 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -77.05 152.8 34.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.076 0.465 . . . . 0.0 111.339 -177.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.6 t -115.46 134.12 59.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.65 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -84.81 -43.98 13.69 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.953 0.406 . . . . 0.0 111.047 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.476 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 92.0 m-20 -75.17 -5.62 45.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.436 -173.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.571 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 0.1 OUTLIER -53.43 -23.44 9.94 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.786 0.327 . . . . 0.0 111.055 178.275 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.425 ' N ' ' HD2' ' A' ' 72' ' ' LYS . 5.7 pt-20 -44.1 -43.53 6.98 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.758 176.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.708 ' HG3' HG11 ' A' ' 55' ' ' VAL . 7.0 ptp180 -81.78 -29.74 32.62 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -177.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.666 ' HZ ' HD22 ' A' ' 50' ' ' LEU . 55.4 m-85 -81.47 -23.03 37.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.701 0.286 . . . . 0.0 110.609 -178.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -63.0 121.28 13.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.915 175.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.58 -5.23 40.45 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -174.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 25.3 mtpp -109.31 -175.34 2.73 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 175.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.2 t -94.85 108.25 20.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 -177.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.531 HG13 ' HB ' ' A' ' 61' ' ' VAL . 1.4 m -123.9 152.68 29.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.313 0.577 . . . . 0.0 111.499 -175.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.8 tp -116.25 129.76 56.44 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.033 171.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -110.85 109.24 19.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.844 0.354 . . . . 0.0 110.774 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 19.6 m -125.93 163.17 41.1 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.702 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -62.5 144.27 94.37 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.34 2.027 . . . . 0.0 111.488 174.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.487 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 14.4 p -59.53 -33.52 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -176.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.7 m -74.21 -19.32 60.57 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -178.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.13 -53.95 37.06 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -174.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -68.74 -3.68 11.74 Favored 'Trans proline' 0 C--N 1.359 1.114 0 C-N-CA 122.471 2.114 . . . . 0.0 113.28 -176.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.415 HG12 ' HA ' ' A' ' 21' ' ' ALA . 68.6 mt -67.37 -45.47 85.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 174.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -96.33 -53.82 3.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.935 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.57 ' O ' HG21 ' A' ' 95' ' ' VAL . 11.5 m-20 -90.86 39.73 1.0 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.545 -173.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.39 -50.2 65.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.598 -176.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -60.63 -38.98 86.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -177.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -72.79 -35.91 67.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.167 -176.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.57 HG21 ' O ' ' A' ' 91' ' ' ASP . 67.1 t -64.67 -41.43 92.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.194 176.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.12 -46.93 95.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.588 177.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -66.73 -31.24 71.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.976 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.06 -37.29 83.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.899 178.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.7 -40.54 97.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.285 0.564 . . . . 0.0 110.109 176.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 83.5 mt -69.96 -29.85 67.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.391 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.14 -16.75 64.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.245 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 74.5 mt -84.03 -26.73 28.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.314 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.407 HG13 ' N ' ' A' ' 104' ' ' ASP . 21.3 pt -105.32 -48.7 9.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.361 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.407 ' N ' HG13 ' A' ' 103' ' ' ILE . 14.9 m-20 . . . . . 0 C--N 1.327 -0.404 0 CA-C-O 120.785 0.326 . . . . 0.0 110.303 -177.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 59.2 mtmt . . . . . 0 CA--C 1.519 -0.222 0 CA-C-O 121.536 0.684 . . . . 0.0 110.456 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.575 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 18.9 tpp180 -61.66 125.54 24.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.691 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -80.7 113.59 19.0 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.9 mt -124.79 139.53 50.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.94 -177.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.614 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -119.82 136.8 55.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 170.898 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.557 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -143.94 145.13 32.05 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.813 0.34 . . . . 0.0 111.006 -175.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.0 t -118.51 121.01 66.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.5 p -107.63 115.19 29.71 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.812 177.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.53 ' HB3' ' HB3' ' A' ' 41' ' ' GLN . . . -138.03 146.75 43.43 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.77 0.319 . . . . 0.0 111.191 -175.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.979 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 38.6 t -163.06 134.31 4.88 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 176.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.22 -32.18 10.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.007 0.432 . . . . 0.0 110.192 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.7 p -70.62 -52.05 23.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.546 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -119.39 100.23 0.79 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.532 -177.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.0 t -58.4 -43.32 86.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.804 0.335 . . . . 0.0 111.223 -178.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.58 -30.71 69.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.351 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 56.9 m170 -65.17 -40.56 94.47 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.123 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.9 m -56.78 -42.75 79.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.067 178.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -78.56 -44.68 23.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.112 -175.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.9 tpt -60.03 -43.41 95.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.649 0.261 . . . . 0.0 111.024 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.38 -44.78 95.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.481 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.62 -40.12 92.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.065 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -65.89 -47.05 76.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.9 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.63 -44.08 97.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.964 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.0 mt -63.05 -43.6 98.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.425 178.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -64.94 -31.46 72.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.363 . . . . 0.0 110.84 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 27' ' ' LYS . 13.4 mmmm -76.31 -48.04 21.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.756 0.312 . . . . 0.0 110.196 175.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.421 ' O ' ' HB3' ' A' ' 31' ' ' LYS . . . -57.27 -32.84 64.19 Favored Glycine 0 CA--C 1.517 0.212 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.94 179.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.49 -52.04 67.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.788 0.328 . . . . 0.0 110.982 175.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -68.78 -26.3 65.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.827 0.346 . . . . 0.0 110.673 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.421 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 26.5 tptp -62.59 -36.24 82.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.262 176.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.7 mtt -101.0 1.57 39.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.457 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.02 42.9 83.82 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 116.046 -0.524 . . . . 0.0 112.912 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.575 ' HB2' ' O ' ' A' ' 3' ' ' ARG . 10.7 p30 -122.77 174.74 6.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.055 0.455 . . . . 0.0 111.069 177.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.8 mp -116.19 113.12 22.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.172 -176.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.9 tt -113.14 143.57 22.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.439 0.638 . . . . 0.0 111.239 -175.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.7 ' HB3' HD23 ' A' ' 50' ' ' LEU . 19.7 mmtm -115.79 104.37 11.59 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.124 -0.944 . . . . 0.0 108.515 170.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.557 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 7.5 p -108.64 125.88 65.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.094 0.473 . . . . 0.0 111.182 -177.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.862 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 40.1 tt0 -95.79 110.93 23.01 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.535 177.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.801 ' HB ' ' HB3' ' A' ' 47' ' ' GLU . 2.8 m -81.18 98.8 8.23 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.598 177.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.53 ' HB3' ' HB3' ' A' ' 10' ' ' ALA . 1.2 tm0? -92.08 101.33 13.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.327 0.584 . . . . 0.0 109.716 -178.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.71 55.48 4.85 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.805 -175.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 65.2 83.67 0.16 Allowed 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 123.027 0.531 . . . . 0.0 109.954 -178.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.5 m 76.18 -33.91 0.22 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.36 -178.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.36 158.31 43.56 Favored Glycine 0 C--O 1.227 -0.282 0 C-N-CA 121.05 -0.595 . . . . 0.0 111.647 176.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.6 mm -128.47 131.1 69.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 117.072 0.436 . . . . 0.0 111.027 -175.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.801 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 31.0 tt0 -94.24 -36.6 11.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.699 0.285 . . . . 0.0 111.335 177.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -145.65 96.86 2.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.693 -0.231 . . . . 0.0 110.817 -172.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -57.32 134.09 55.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.014 0.435 . . . . 0.0 111.452 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.862 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 33.8 mt -91.06 102.81 15.57 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.66 172.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.74 153.65 43.25 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.733 -174.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -58.26 -41.54 84.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.183 -174.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -58.06 -47.25 83.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.31 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.82 -35.53 81.41 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 120.789 0.328 . . . . 0.0 111.065 -176.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.81 HG11 ' HG3' ' A' ' 74' ' ' ARG . 98.3 t -65.55 -43.55 94.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.25 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -68.95 -32.93 72.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.302 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 77.0 mt -75.53 -42.99 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.498 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.03 140.84 48.09 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.776 -0.647 . . . . 0.0 113.09 179.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -83.68 -72.11 0.47 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.094 0.473 . . . . 0.0 110.624 -178.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 28.0 m -98.71 146.39 8.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.122 -176.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.622 ' HB ' HG13 ' A' ' 80' ' ' VAL . 17.2 t -111.03 121.22 63.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.699 177.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.4 mt -100.44 119.41 48.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.243 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -105.38 104.46 14.19 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.641 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.668 ' HB2' ' HA ' ' A' ' 85' ' ' VAL . . . -108.69 89.51 3.02 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 169.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.502 HG12 ' HB1' ' A' ' 10' ' ' ALA . 17.1 m -134.68 140.97 44.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.586 0.708 . . . . 0.0 112.348 -168.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.979 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 16.7 t70 -105.07 1.56 28.62 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.461 -1.245 . . . . 0.0 109.084 173.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.429 ' O ' ' HB ' ' A' ' 65' ' ' VAL . 11.5 t -153.43 172.09 17.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.053 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -73.93 175.64 7.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.936 0.398 . . . . 0.0 110.488 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.0 m -132.66 174.66 12.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.99 0.424 . . . . 0.0 111.442 -174.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -93.44 -46.88 7.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.997 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.523 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 93.9 m-20 -76.29 -4.27 41.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.895 -169.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -47.11 -26.06 1.01 Allowed 'General case' 0 N--CA 1.471 0.609 0 O-C-N 123.224 0.328 . . . . 0.0 111.273 176.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -46.28 -53.38 10.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.231 176.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.81 ' HG3' HG11 ' A' ' 55' ' ' VAL . 10.5 ptp180 -87.93 -25.87 22.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.05 -172.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.472 ' HE1' HG13 ' A' ' 6' ' ' ILE . 26.1 m-85 -74.64 -19.57 60.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.847 0.356 . . . . 0.0 110.964 178.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -67.65 115.99 7.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.896 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.5 -13.87 32.88 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 -176.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -97.66 178.91 5.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.738 0.304 . . . . 0.0 110.33 178.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 67.1 t -90.4 108.28 19.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.128 -177.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.622 HG13 ' HB ' ' A' ' 61' ' ' VAL . 1.3 m -122.58 154.4 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.112 0.482 . . . . 0.0 111.27 -178.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.0 tp -117.02 121.42 41.3 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.301 173.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -105.3 100.02 9.62 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.084 0.468 . . . . 0.0 110.762 -176.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.1 m -123.75 164.36 29.32 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.76 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.69 153.18 76.77 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.456 2.104 . . . . 0.0 112.03 176.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.668 ' HA ' ' HB2' ' A' ' 64' ' ' ALA . 15.0 p -63.19 -23.66 33.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.131 0.491 . . . . 0.0 111.597 -177.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.9 m -73.91 -19.52 60.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.702 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.14 -57.8 16.73 Favored Pre-proline 0 CA--C 1.534 0.358 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -174.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.433 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 38.3 Cg_endo -65.23 -18.3 60.62 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.227 1.951 . . . . 0.0 112.93 -175.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 69.6 mt -66.11 -42.43 91.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.338 0.59 . . . . 0.0 110.342 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -96.26 -45.1 6.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.042 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.808 ' HB3' ' HB2' ' A' ' 94' ' ' LYS . 19.6 m-20 -112.79 42.37 1.88 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.921 -170.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.68 ' O ' HG13 ' A' ' 95' ' ' VAL . . . -53.38 -44.03 68.29 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -178.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -69.47 -30.9 68.89 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.652 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.808 ' HB2' ' HB3' ' A' ' 91' ' ' ASP . 0.8 OUTLIER -73.87 -43.11 59.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.041 0.448 . . . . 0.0 110.154 -179.769 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.68 HG13 ' O ' ' A' ' 92' ' ' ALA . 4.1 p -63.2 -37.44 79.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.37 -177.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.517 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 75.3 mt -65.25 -51.48 64.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.46 176.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -59.35 -41.19 88.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.961 0.41 . . . . 0.0 111.0 177.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.2 89.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.051 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.04 -38.33 85.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.407 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 71.5 mt -67.26 -31.71 72.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.646 178.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.7 -23.55 66.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.198 177.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.23 -29.03 66.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.578 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 35.0 pt -101.21 6.34 9.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.304 0.573 . . . . 0.0 109.576 172.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 22.4 t70 . . . . . 0 N--CA 1.463 0.215 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.964 178.14 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.511 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.2 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -74.79 146.88 41.73 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 -178.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.779 ' HB2' ' HG3' ' A' ' 59' ' ' GLU . 39.5 mmtm -96.66 118.73 33.76 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -176.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.569 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 62.1 mt -134.9 138.35 49.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.923 0.392 . . . . 0.0 110.884 -177.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.69 HD12 HG23 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -122.89 136.36 59.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 171.599 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -135.97 143.92 45.11 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.663 -175.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.466 ' HB ' ' CD1' ' A' ' 63' ' ' PHE . 58.4 t -122.58 132.3 71.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 177.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.574 HG22 ' HB1' ' A' ' 64' ' ' ALA . 17.3 p -116.62 128.14 55.11 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.089 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.13 96.42 1.32 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.761 0.315 . . . . 0.0 111.495 -176.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.701 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 46.9 t -118.09 129.63 55.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.72 0.295 . . . . 0.0 110.272 178.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.36 -16.44 22.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.939 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.1 m -69.58 -51.93 30.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.176 0.512 . . . . 0.0 110.3 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.48 112.56 0.65 Allowed Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.702 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.0 m -62.51 -28.13 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -176.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.69 -34.01 75.0 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.996 0.427 . . . . 0.0 110.851 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -70.99 -33.59 70.56 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.276 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.578 HG22 HG23 ' A' ' 40' ' ' THR . 15.8 m -63.17 -43.23 98.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.8 179.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -65.32 -40.53 93.86 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.82 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.457 ' HA ' ' HG2' ' A' ' 23' ' ' GLN . 24.7 ttt -75.06 -37.89 61.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.564 -175.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.92 -39.43 85.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.968 0.413 . . . . 0.0 110.45 178.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.98 -47.79 76.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.254 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.457 ' HG2' ' HA ' ' A' ' 20' ' ' MET . 2.6 pt20 -72.47 -29.72 63.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.086 -176.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.425 ' O ' ' HB3' ' A' ' 27' ' ' LYS . . . -74.07 -40.41 62.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.783 0.325 . . . . 0.0 110.737 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.9 mt -63.07 -42.8 99.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.573 174.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -65.31 -34.79 79.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.844 177.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 24' ' ' ALA . 24.1 tttm -56.99 -55.79 30.07 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.953 173.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.53 -40.4 99.07 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.624 -176.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.55 -48.53 74.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.616 0.246 . . . . 0.0 111.094 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -69.76 -25.54 63.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.5 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -60.36 -32.52 71.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.319 0.581 . . . . 0.0 110.164 174.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.529 ' HB2' ' ND2' ' A' ' 34' ' ' ASN . 86.9 mmm -100.11 4.92 44.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.423 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.446 ' O ' ' HG3' ' A' ' 2' ' ' LYS . . . 71.45 28.01 70.39 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.743 -0.662 . . . . 0.0 113.034 178.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.529 ' ND2' ' HB2' ' A' ' 32' ' ' MET . 86.8 m-20 -88.42 169.45 11.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.244 0.545 . . . . 0.0 111.526 -176.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.511 ' HG ' ' HB3' ' A' ' 2' ' ' LYS . 72.3 mt -110.19 119.03 37.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.475 -0.784 . . . . 0.0 108.916 178.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.569 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 16.5 tt -136.57 139.28 45.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.184 0.516 . . . . 0.0 111.751 -172.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -116.09 109.71 17.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.567 173.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.9 t -101.54 119.02 49.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.062 -176.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.443 ' HB3' HG23 ' A' ' 8' ' ' VAL . 35.8 tt0 -94.49 153.36 17.95 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.071 174.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.578 HG23 HG22 ' A' ' 18' ' ' THR . 61.6 m -132.06 131.91 42.86 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.769 176.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.508 ' HG3' HG12 ' A' ' 46' ' ' ILE . 1.6 tm0? -129.06 131.48 47.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.918 0.39 . . . . 0.0 110.082 -179.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -106.03 69.6 0.23 Allowed Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.173 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 73.95 -42.12 0.5 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.708 0.803 . . . . 0.0 112.138 174.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.2 t -149.85 -21.01 0.26 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.049 0.452 . . . . 0.0 110.605 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.47 111.13 4.15 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.593 -0.813 . . . . 0.0 111.444 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.508 HG12 ' HG3' ' A' ' 41' ' ' GLN . 44.6 mt -91.72 127.0 44.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 -178.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -73.37 -63.57 1.16 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.993 0.425 . . . . 0.0 111.332 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.416 ' HB3' ' HG3' ' A' ' 39' ' ' GLU . 47.7 t30 -87.4 -52.72 5.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.673 -174.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 64.75 83.93 0.16 Allowed 'General case' 0 C--O 1.233 0.22 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -170.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.605 HD21 ' HB ' ' A' ' 6' ' ' ILE . 11.9 tp -65.09 110.5 2.53 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.952 -172.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.9 p -68.35 163.89 22.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.853 -175.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -62.83 -35.52 80.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.5 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.512 ' O ' HG13 ' A' ' 57' ' ' ILE . 67.8 mttm -63.79 -42.42 97.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.098 179.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -66.29 -46.85 75.56 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.448 0.642 . . . . 0.0 109.95 175.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 1.048 HG11 ' HB3' ' A' ' 74' ' ' ARG . 29.6 t -56.73 -47.06 83.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.835 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -71.98 -8.99 57.69 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -175.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 53' ' ' LYS . 78.2 mt -81.92 -49.51 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 172.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.53 ' HA3' HG23 ' A' ' 6' ' ' ILE . . . -65.63 138.94 38.48 Favored Glycine 0 C--N 1.331 0.254 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.749 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.779 ' HG3' ' HB2' ' A' ' 4' ' ' LYS . 27.3 mt-10 -89.03 -63.29 1.31 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.976 0.417 . . . . 0.0 110.275 -178.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.3 m -95.99 147.96 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.999 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.69 HG23 HD12 ' A' ' 6' ' ' ILE . 19.9 t -116.26 129.96 71.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.408 -178.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.7 mt -115.95 124.45 72.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.256 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.625 ' HB2' ' HG2' ' A' ' 82' ' ' GLU . 45.6 m-85 -108.42 107.75 18.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.906 176.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.606 ' HB3' ' HG3' ' A' ' 88' ' ' PRO . . . -96.89 89.59 4.92 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 168.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.7 m -138.23 154.44 27.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 121.705 0.764 . . . . 0.0 112.668 -167.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.701 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 19.3 t70 -113.42 -27.22 7.99 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.082 -1.417 . . . . 0.0 108.476 170.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.4 t -121.03 174.84 6.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.936 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.9 167.61 14.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.77 0.319 . . . . 0.0 110.769 -176.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.8 m -131.57 168.74 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.136 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.509 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 40.9 ttm180 -92.86 -46.52 7.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.812 0.339 . . . . 0.0 111.423 179.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -65.99 -5.73 10.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.926 -172.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.499 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 55.0 tttp -46.95 -27.91 1.44 Allowed 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.43 172.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 18.6 mt-10 -46.77 -52.71 13.46 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.645 0.736 . . . . 0.0 110.929 177.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 1.048 ' HB3' HG11 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -59.3 -33.98 71.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.613 -1.176 . . . . 0.0 112.911 -175.514 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.499 ' HD2' ' HA ' ' A' ' 72' ' ' LYS . 21.1 m-85 -83.93 -9.42 58.71 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.768 -171.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -63.36 -30.17 71.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.154 0.502 . . . . 0.0 110.621 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -80.67 -8.05 87.92 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.781 -0.645 . . . . 0.0 113.112 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.443 ' HZ2' ' HG2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -121.33 -154.68 0.6 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.735 0.268 . . . . 0.0 110.879 -178.212 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.676 HG13 ' HB3' ' A' ' 102' ' ' LEU . 45.5 t -110.95 126.73 68.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.661 0.267 . . . . 0.0 110.294 -175.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 62.1 t -119.25 138.31 50.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.303 -174.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -128.74 101.42 6.11 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 174.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.625 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 44.6 mt-10 -91.9 141.63 28.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.047 -177.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.0 m -139.91 162.5 50.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.612 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.05 147.17 91.52 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.25 1.967 . . . . 0.0 110.473 170.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.49 HG21 ' HB2' ' A' ' 11' ' ' CYS . 10.7 p -63.84 -28.25 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 -172.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.8 p -75.31 -24.2 57.43 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.419 ' N ' ' HD2' ' A' ' 88' ' ' PRO . . . -61.39 -53.5 61.66 Favored Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -173.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.606 ' HG3' ' HB3' ' A' ' 64' ' ' ALA . 40.8 Cg_endo -65.63 -6.27 13.46 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 122.255 1.97 . . . . 0.0 113.235 -176.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 67.0 mt -80.88 -42.14 20.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.145 0.497 . . . . 0.0 110.204 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -96.44 -24.77 15.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.612 -178.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.564 ' O ' HG23 ' A' ' 95' ' ' VAL . 14.8 t70 -125.04 27.41 6.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.238 -168.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 88' ' ' PRO . . . -52.67 -52.89 53.89 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -172.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -63.43 -37.55 87.7 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.776 0.322 . . . . 0.0 111.336 -177.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.421 ' HB3' ' CG ' ' A' ' 91' ' ' ASP . 28.8 tptp -73.39 -39.54 65.03 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.21 -176.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 91' ' ' ASP . 85.4 t -61.94 -42.75 95.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.722 176.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.571 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 75.9 mt -64.36 -43.58 97.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.985 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -67.66 -29.19 68.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 177.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.31 -43.38 70.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.41 176.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.79 -37.44 79.1 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.405 176.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 92.3 mt -62.3 -29.07 70.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.998 178.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.32 -16.05 63.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.813 0.34 . . . . 0.0 111.457 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.676 ' HB3' HG13 ' A' ' 79' ' ' VAL . 4.1 mm? -83.32 -30.23 27.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.735 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 25.6 pt -107.28 -40.26 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 120.757 0.313 . . . . 0.0 111.776 -178.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.168 177.944 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp . . . . . 0 N--CA 1.466 0.357 0 CA-C-O 121.23 0.538 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.653 ' HE ' ' HG3' ' A' ' 59' ' ' GLU . 13.8 tpt180 -94.87 145.6 24.79 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 177.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.534 ' HD2' ' HB2' ' A' ' 35' ' ' LEU . 14.6 mmmm -81.82 123.56 28.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.982 0.42 . . . . 0.0 110.74 -178.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.417 HG21 HG23 ' A' ' 60' ' ' VAL . 66.2 mt -122.1 131.97 72.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.922 177.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.637 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -105.26 126.58 60.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 174.39 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.534 ' HA ' ' O ' ' A' ' 62' ' ' ILE . . . -135.89 140.96 44.49 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.57 -177.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.503 HG23 ' HB3' ' A' ' 39' ' ' GLU . 53.3 t -124.97 124.77 68.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.071 0.463 . . . . 0.0 111.019 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.638 HG22 ' HB3' ' A' ' 64' ' ' ALA . 29.1 p -107.64 112.39 25.08 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 174.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.514 ' HB2' HG13 ' A' ' 65' ' ' VAL . . . -131.09 97.21 4.23 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.932 0.396 . . . . 0.0 111.427 -173.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.802 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 47.0 t -112.91 130.45 56.11 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.516 ' HB3' ' HB ' ' A' ' 67' ' ' THR . . . -92.62 -56.84 2.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.912 0.387 . . . . 0.0 110.398 -178.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.0 p -98.64 106.07 18.3 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.255 177.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.85 69.65 0.48 Allowed Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -175.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 m -63.22 -18.27 21.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -176.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.99 -34.52 68.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.011 0.434 . . . . 0.0 110.314 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -64.95 -39.14 93.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.204 177.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.541 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 2.2 m -56.17 -50.73 70.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.435 -177.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -80.1 -35.99 36.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.206 -176.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.7 tpt -68.35 -42.43 79.25 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.619 -0.433 . . . . 0.0 111.185 -177.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.3 -44.49 95.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.702 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.67 99.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.158 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -66.34 -49.26 67.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.33 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.7 -42.74 90.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.986 0.422 . . . . 0.0 111.094 -177.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.7 tp -61.76 -47.11 86.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.948 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -64.61 -41.04 96.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.663 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -66.73 -37.9 85.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.37 -38.4 94.92 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.879 -0.676 . . . . 0.0 112.096 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.477 ' HA ' HD13 ' A' ' 96' ' ' ILE . . . -71.24 -39.19 71.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.74 0.305 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -69.65 -25.78 64.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.491 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -60.8 -27.88 68.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.171 0.51 . . . . 0.0 110.325 176.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.5 mmt -99.82 12.14 37.47 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.68 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.03 55.11 29.96 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.538 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -122.92 167.09 14.01 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.719 0.295 . . . . 0.0 110.583 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.534 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 91.9 mt -112.94 94.16 4.77 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.3 tt -105.31 143.05 17.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.708 -176.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.413 ' HB3' HD21 ' A' ' 50' ' ' LEU . 61.1 mmtt -115.51 105.17 12.49 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.163 174.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.9 t -97.09 120.87 46.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.644 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.63 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 35.3 tt0 -95.66 134.6 38.38 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 176.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.93 ' HB ' ' HB2' ' A' ' 47' ' ' GLU . 13.7 m -112.89 93.31 4.36 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 120.978 0.418 . . . . 0.0 110.329 -176.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.482 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 53.0 tt0 -90.19 106.44 18.49 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.212 0.53 . . . . 0.0 110.69 -177.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.33 68.98 3.22 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.273 176.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.499 ' HA ' HG23 ' A' ' 67' ' ' THR . . . 70.82 -77.09 0.06 Allowed 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 123.546 0.739 . . . . 0.0 111.051 179.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.7 m -106.0 -28.67 10.41 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.903 0.383 . . . . 0.0 110.557 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -87.05 159.42 31.27 Favored Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 -177.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 77.0 mt -131.3 115.56 29.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 117.006 0.403 . . . . 0.0 111.311 -176.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.93 ' HB2' ' HB ' ' A' ' 40' ' ' THR . 60.8 mm-40 -84.66 140.98 30.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.779 172.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.435 ' HB3' ' O ' ' A' ' 47' ' ' GLU . 37.4 t30 76.18 -62.21 0.43 Allowed 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.971 0.795 . . . . 0.0 111.358 176.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 66.6 110.42 0.04 OUTLIER 'General case' 0 C--O 1.235 0.33 0 O-C-N 123.749 0.656 . . . . 0.0 110.953 -177.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.63 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 65.4 mt -64.74 119.79 11.25 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.343 -176.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.39 147.99 48.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.344 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -57.04 -41.28 78.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.597 -177.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -60.36 -41.48 93.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.168 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -72.16 -38.57 69.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.095 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.495 ' HA ' HG21 ' A' ' 6' ' ' ILE . 57.3 t -61.75 -45.06 99.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.643 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -75.08 -28.11 60.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.787 -175.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.2 mm -87.35 -29.49 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.948 0.404 . . . . 0.0 110.637 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.01 130.31 50.83 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.385 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.653 ' HG3' ' HE ' ' A' ' 3' ' ' ARG . 7.2 mm-40 -81.43 -72.5 0.42 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.113 0.482 . . . . 0.0 110.983 -177.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.701 ' HA ' HG12 ' A' ' 79' ' ' VAL . 22.2 m -95.14 144.27 10.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.644 -176.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.551 HG21 HD12 ' A' ' 6' ' ' ILE . 11.6 t -110.23 118.8 57.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.954 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.534 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 77.6 mt -108.2 133.79 52.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.463 -178.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.572 ' HB2' ' HG3' ' A' ' 82' ' ' GLU . 79.5 m-85 -123.51 134.29 53.9 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.96 0.41 . . . . 0.0 110.902 176.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.638 ' HB3' HG22 ' A' ' 9' ' ' THR . . . -129.74 92.12 3.27 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 172.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.514 HG13 ' HB2' ' A' ' 10' ' ' ALA . 28.4 m -130.99 150.51 34.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -166.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.802 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 7.0 t70 -106.17 -31.35 8.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 113.983 -1.462 . . . . 0.0 108.805 173.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.516 ' HB ' ' HB3' ' A' ' 12' ' ' ALA . 15.0 t -118.09 -171.55 2.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.174 178.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -78.66 167.22 21.55 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.355 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.748 ' HB ' ' HB2' ' A' ' 72' ' ' LYS . 18.1 t -114.0 140.03 36.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -177.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -81.75 -56.84 3.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.247 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.502 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 89.2 m-20 -74.69 -7.13 52.32 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -175.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.748 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 85.6 tttt -52.86 -27.38 18.16 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.928 0.395 . . . . 0.0 111.323 179.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -52.1 -34.44 44.12 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -178.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.502 ' HG2' ' O ' ' A' ' 71' ' ' ASN . 9.9 ptp180 -81.37 -7.58 59.6 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -175.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.605 ' CE1' HG13 ' A' ' 6' ' ' ILE . 30.9 m-85 -98.16 20.99 11.46 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 122.199 -0.313 . . . . 0.0 110.776 177.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -56.34 -42.0 77.02 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.614 -175.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -104.73 15.42 48.92 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.771 -178.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.559 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 26.2 mtpp -107.29 162.35 13.98 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -177.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.701 HG12 ' HA ' ' A' ' 60' ' ' VAL . 3.2 p -74.44 117.03 17.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.289 0.566 . . . . 0.0 110.656 -175.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 85.1 t -108.88 121.53 62.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.841 -172.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.617 HD22 HD11 ' A' ' 102' ' ' LEU . 3.2 tm? -119.02 109.45 15.95 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 173.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.572 ' HG3' ' HB2' ' A' ' 63' ' ' PHE . 34.4 tt0 -115.17 132.08 56.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.11 -174.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 24.2 m -135.14 167.28 23.45 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.911 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -61.06 153.1 66.73 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.473 2.115 . . . . 0.0 111.529 174.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.627 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 9.0 p -66.74 -24.26 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.132 0.492 . . . . 0.0 111.255 -174.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 p -75.45 -22.81 57.01 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.61 -52.24 45.06 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -171.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -69.54 -3.7 12.38 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.133 1.888 . . . . 0.0 113.458 -173.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 64.2 mt -72.58 -44.48 60.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.411 0.624 . . . . 0.0 109.7 176.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -97.25 -49.42 4.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.151 177.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.582 ' O ' HG21 ' A' ' 95' ' ' VAL . 5.1 m-20 -95.66 36.35 1.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.961 -171.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.15 -49.17 67.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.595 0.236 . . . . 0.0 111.299 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -64.92 -36.06 83.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.809 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.555 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 17.7 tppt? -65.9 -45.09 83.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.132 -179.14 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.582 HG21 ' O ' ' A' ' 91' ' ' ASP . 57.8 t -61.31 -45.19 99.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.842 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.477 HD13 ' HA ' ' A' ' 29' ' ' ALA . 79.5 mt -64.15 -50.56 76.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.742 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -59.72 -41.78 91.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.036 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.539 ' O ' ' HG ' ' A' ' 102' ' ' LEU . . . -60.71 -39.49 88.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.074 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.25 -48.93 77.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.805 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.17 -31.37 71.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.031 0.443 . . . . 0.0 110.735 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.45 -17.85 65.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.624 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.617 HD11 HD22 ' A' ' 81' ' ' LEU . 85.4 mt -80.04 -19.32 47.89 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.703 0.287 . . . . 0.0 111.373 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 28.4 pt -117.29 -41.13 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -177.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 120.604 0.24 . . . . 0.0 111.5 -175.552 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.597 ' HE2' HD23 ' A' ' 35' ' ' LEU . 56.3 mtpt . . . . . 0 C--O 1.233 0.225 0 CA-C-O 121.453 0.644 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.445 ' HD2' ' HA ' ' A' ' 3' ' ' ARG . 13.0 tpt180 -88.18 169.45 11.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.657 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -111.26 125.99 54.41 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -178.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 66.8 mt -137.14 131.75 46.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.641 0.258 . . . . 0.0 111.314 -178.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.629 ' HB ' HD11 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -110.78 130.24 64.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 171.401 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.558 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -142.06 126.54 17.78 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.798 0.332 . . . . 0.0 111.15 -174.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.8 t -95.89 118.16 41.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.024 177.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.483 HG22 ' HB3' ' A' ' 64' ' ' ALA . 19.4 p -117.34 113.77 22.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.915 178.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.632 ' O ' ' HA ' ' A' ' 65' ' ' VAL . . . -160.04 160.66 33.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.849 0.357 . . . . 0.0 111.096 -176.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.629 ' SG ' ' HB2' ' A' ' 17' ' ' HIS . 24.9 p -157.83 142.16 16.13 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.314 178.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.518 ' HB1' ' HB ' ' A' ' 67' ' ' THR . . . -90.54 -32.46 16.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.256 0.551 . . . . 0.0 109.837 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.5 p -111.87 133.85 53.8 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.1 175.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.18 58.66 5.01 Favored Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -175.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.1 m -59.98 -16.95 12.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -169.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.46 -26.56 66.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.93 0.395 . . . . 0.0 110.909 176.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.629 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 37.0 m80 -64.64 -36.65 84.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.066 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.598 HG23 ' HA ' ' A' ' 10' ' ' ALA . 27.3 m -57.91 -37.87 74.82 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 121.096 0.474 . . . . 0.0 111.255 -177.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -90.69 -43.87 9.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.813 -174.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.4 tpt -64.67 -42.05 95.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 -178.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.482 ' HB3' ' HG2' ' A' ' 88' ' ' PRO . . . -63.51 -47.07 83.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.309 -177.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.58 -41.96 95.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.408 -178.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -71.47 -42.15 68.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.382 -178.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.66 -39.1 80.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.968 0.413 . . . . 0.0 110.382 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.5 tp -64.62 -40.21 95.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.781 175.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -59.05 -43.71 91.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.01 175.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -59.57 -47.42 85.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.62 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.74 -43.31 99.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.959 178.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.468 ' HA ' HD22 ' A' ' 34' ' ' ASN . . . -63.7 -37.88 89.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.924 0.392 . . . . 0.0 110.92 178.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -65.89 -38.92 90.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.288 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -65.58 -49.81 67.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.845 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 85.7 mtp -70.15 -24.37 63.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.539 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 2' ' ' LYS . . . 83.56 62.59 1.77 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.44 175.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.511 ' HA ' ' HA ' ' A' ' 2' ' ' LYS . 9.7 p30 -135.55 177.3 7.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.731 0.3 . . . . 0.0 110.589 176.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.597 HD23 ' HE2' ' A' ' 2' ' ' LYS . 2.8 mm? -107.47 109.96 21.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.367 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.6 tt -114.93 141.21 32.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 121.338 0.589 . . . . 0.0 111.308 -175.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.451 ' HB3' HD23 ' A' ' 50' ' ' LEU . 7.0 mmtm -115.8 101.66 9.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.391 175.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.558 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 15.2 m -93.91 127.23 46.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.111 0.481 . . . . 0.0 110.831 -179.169 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.526 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 28.5 tt0 -95.32 146.51 24.32 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.853 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.6 m -127.07 119.55 26.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.757 -174.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -124.14 136.96 54.58 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.36 -60.21 1.94 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.349 -0.929 . . . . 0.0 111.961 177.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -143.29 -39.42 0.32 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.964 0.411 . . . . 0.0 110.258 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.2 t -148.95 -18.64 0.3 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.506 175.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.79 130.05 10.12 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.015 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 68.2 mt -99.71 127.54 52.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -92.98 -54.51 3.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.485 -177.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -95.77 74.67 3.15 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -65.82 124.6 22.89 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.558 -176.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.629 HD11 ' HB ' ' A' ' 6' ' ' ILE . 73.2 mt -80.61 111.26 16.88 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 174.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.517 ' O ' HG22 ' A' ' 55' ' ' VAL . 75.9 p -91.19 173.77 7.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.511 -174.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -48.71 -46.14 40.31 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.589 0.556 . . . . 0.0 110.982 -178.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.527 ' O ' HG12 ' A' ' 57' ' ' ILE . 5.4 tmmm? -57.67 -50.52 72.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.036 -179.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -63.44 -45.05 92.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.384 0.612 . . . . 0.0 110.528 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 51' ' ' THR . 89.7 t -61.21 -42.32 92.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 114.922 -1.035 . . . . 0.0 112.13 -174.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -78.13 -20.5 51.99 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.795 0.295 . . . . 0.0 111.795 -176.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.527 HG12 ' O ' ' A' ' 53' ' ' LYS . 42.6 mm -80.52 -42.51 21.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 176.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.43 135.56 42.16 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.859 -0.61 . . . . 0.0 113.133 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -76.91 -64.58 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.231 0.539 . . . . 0.0 110.141 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.401 HG11 HD12 ' A' ' 103' ' ' ILE . 17.7 m -107.53 151.76 9.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.036 -177.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.605 ' HB ' HG11 ' A' ' 80' ' ' VAL . 8.4 t -115.04 114.42 46.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.193 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.425 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 69.8 mt -100.41 131.79 47.28 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.08 179.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -115.01 111.67 21.49 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.639 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.647 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -118.38 90.21 3.29 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 172.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.632 ' HA ' ' O ' ' A' ' 10' ' ' ALA . 12.3 m -141.32 141.07 31.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.469 0.652 . . . . 0.0 112.736 -169.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.529 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 9.8 t70 -97.33 -20.24 17.98 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.944 -1.026 . . . . 0.0 108.84 170.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.518 ' HB ' ' HB1' ' A' ' 12' ' ' ALA . 4.2 t -111.89 154.38 25.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.445 177.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -78.03 160.81 27.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.131 0.491 . . . . 0.0 110.678 -176.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.441 HG21 ' HB2' ' A' ' 72' ' ' LYS . 21.6 m -118.66 153.28 20.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.562 -178.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.514 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 15.7 ttt180 -90.99 -44.14 9.51 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.218 174.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.49 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 96.5 m-20 -60.16 -7.74 2.06 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -170.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.488 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 26.2 ttpp -51.39 -24.16 4.53 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 122.514 0.326 . . . . 0.0 110.6 174.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 12.3 mt-10 -41.16 -47.48 3.27 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.283 0.633 . . . . 0.0 111.656 175.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.513 ' HG3' HG13 ' A' ' 55' ' ' VAL . 6.4 ptp180 -87.9 -25.67 23.13 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.675 -173.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.488 ' HD2' ' HA ' ' A' ' 72' ' ' LYS . 23.8 m-85 -84.7 -10.59 57.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.679 0.276 . . . . 0.0 110.94 178.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.95 -27.51 66.85 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.57 -176.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.43 22.08 31.5 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.071 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.465 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 28.8 mtpp -122.9 178.4 5.06 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -178.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 44.8 t -90.22 111.63 23.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.605 HG11 ' HB ' ' A' ' 61' ' ' VAL . 2.4 m -117.77 161.84 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.208 0.528 . . . . 0.0 111.157 -176.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.534 HD21 HD11 ' A' ' 102' ' ' LEU . 3.1 tm? -143.43 115.49 8.36 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 176.072 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -97.16 133.52 41.69 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.99 0.424 . . . . 0.0 111.313 -176.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 12.4 m -140.01 163.28 45.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.091 177.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -60.79 146.16 97.83 Favored 'Trans proline' 0 CA--C 1.527 0.138 0 C-N-CA 122.451 2.1 . . . . 0.0 111.15 173.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.647 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 13.0 p -63.67 -26.43 40.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-O 121.032 0.444 . . . . 0.0 111.498 -176.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.7 m -74.96 -19.75 59.97 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.15 -53.65 52.51 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -174.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.556 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 41.0 Cg_endo -66.94 -6.37 15.71 Favored 'Trans proline' 0 C--N 1.357 1.014 0 C-N-CA 122.057 1.838 . . . . 0.0 113.002 -177.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 70.4 mt -72.29 -49.59 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.974 0.416 . . . . 0.0 110.134 176.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -96.4 -40.63 9.01 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.579 -178.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.446 ' O ' HG22 ' A' ' 95' ' ' VAL . 38.2 t0 -123.08 40.7 3.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.385 0.612 . . . . 0.0 111.115 -166.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 88' ' ' PRO . . . -54.43 -41.45 69.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.2 -177.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.71 -41.26 98.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.784 -174.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -69.3 -36.07 76.65 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.113 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 91' ' ' ASP . 57.7 t -61.42 -43.33 96.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.384 177.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 85.0 mt -62.9 -47.37 93.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.817 177.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -61.47 -38.98 89.25 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.951 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.79 -40.08 82.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.928 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.03 -39.43 79.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.682 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.76 -31.76 72.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.783 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.06 -17.65 63.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.453 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.534 HD11 HD21 ' A' ' 81' ' ' LEU . 86.9 mt -83.18 -25.8 31.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.716 0.293 . . . . 0.0 111.171 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.401 HD12 HG11 ' A' ' 60' ' ' VAL . 25.9 pt -101.92 -46.2 11.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -177.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 21.0 t70 . . . . . 0 C--N 1.325 -0.478 0 CA-C-O 120.868 0.366 . . . . 0.0 111.146 -174.538 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.588 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 55.2 mttp . . . . . 0 C--O 1.236 0.376 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.1 148.26 36.16 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 176.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -92.21 118.93 31.35 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.4 HG12 ' CG2' ' A' ' 60' ' ' VAL . 53.3 mt -127.0 126.75 68.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.136 -176.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.653 HG13 ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -106.22 123.27 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 171.29 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.477 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -130.87 138.43 49.82 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 -174.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.7 t -120.58 119.62 60.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.967 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.631 HG23 ' HB1' ' A' ' 64' ' ' ALA . 17.6 p -102.98 120.32 40.43 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.111 176.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.647 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . . . -137.14 161.16 36.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.764 -175.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.994 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 45.0 t -154.86 152.41 29.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.225 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.553 ' HB2' ' HB ' ' A' ' 67' ' ' THR . . . -111.92 -17.27 12.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.952 0.406 . . . . 0.0 110.789 178.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 p -100.07 -87.08 0.37 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.372 -177.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.13 112.94 4.49 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.499 177.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 49.9 t -58.43 -34.15 49.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.716 0.293 . . . . 0.0 111.48 -175.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.84 -21.59 57.06 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -177.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -63.87 -29.3 70.5 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 121.175 -0.21 . . . . 0.0 111.156 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.1 p -62.28 -52.64 62.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.928 0.394 . . . . 0.0 110.962 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -59.93 -45.66 91.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.871 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.79 ' HE2' HG22 ' A' ' 89' ' ' ILE . 25.8 ttt -59.03 -47.31 85.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.974 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.637 ' HA ' HG12 ' A' ' 89' ' ' ILE . . . -61.41 -46.91 88.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.525 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.14 -46.43 88.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.362 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -63.52 -47.9 79.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.492 -178.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.444 ' O ' ' HB3' ' A' ' 27' ' ' LYS . . . -68.95 -38.57 79.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.014 0.435 . . . . 0.0 110.988 -177.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.9 tp -64.52 -46.97 80.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.829 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -66.27 -28.83 69.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.441 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 24' ' ' ALA . 53.1 tptt -57.42 -50.72 72.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.368 175.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.6 -36.58 92.62 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.281 -178.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.7 95.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.672 0.272 . . . . 0.0 110.836 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -69.75 -34.86 74.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.949 0.404 . . . . 0.0 110.374 178.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.1 tttm -60.39 -37.6 81.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.978 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 79.0 mtm -96.97 -14.97 21.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.505 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.57 52.82 2.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 0.0 113.11 176.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.565 ' HA ' ' HA ' ' A' ' 2' ' ' LYS . 51.2 m-80 -119.91 172.2 7.89 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.754 0.311 . . . . 0.0 110.668 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.588 ' HG ' ' HB3' ' A' ' 2' ' ' LYS . 90.3 mt -112.71 115.15 28.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.922 178.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.0 tt -127.11 139.38 52.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.261 0.553 . . . . 0.0 110.994 -175.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -115.43 102.13 9.54 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.786 175.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 16.4 t -99.82 124.22 53.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.498 -178.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.732 ' HG3' ' H ' ' A' ' 49' ' ' GLU . 26.8 tt0 -95.56 141.8 28.64 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.215 175.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.448 ' HB ' ' HB3' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -96.81 98.42 10.12 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 177.683 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.647 ' HB3' ' HB2' ' A' ' 10' ' ' ALA . 3.4 tt0 -95.11 90.02 5.76 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 177.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.31 -70.38 1.0 Allowed Glycine 0 C--N 1.33 0.228 0 CA-C-N 114.72 -1.127 . . . . 0.0 113.359 -167.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -129.29 69.11 1.41 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.1 m 62.97 17.98 10.51 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.785 0.802 . . . . 0.0 109.713 -174.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.45 ' O ' ' HA ' ' A' ' 41' ' ' GLN . . . -126.09 154.53 18.9 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.255 -178.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.649 HD13 ' HB2' ' A' ' 70' ' ' ARG . 22.5 mm -92.16 140.57 15.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -170.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.448 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 19.1 tt0 -117.47 -62.06 1.62 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.04 0.447 . . . . 0.0 110.475 172.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.58 ' HB3' ' HA ' ' A' ' 39' ' ' GLU . 7.4 t30 -74.98 -49.72 19.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.418 -175.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.732 ' H ' ' HG3' ' A' ' 39' ' ' GLU . 38.1 tt0 71.74 123.12 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 O-C-N 124.07 0.856 . . . . 0.0 111.772 -178.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.472 HD13 ' HB ' ' A' ' 6' ' ' ILE . 81.3 mt -95.98 116.4 28.88 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.45 174.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.476 ' O ' HG21 ' A' ' 55' ' ' VAL . 82.3 p -77.27 171.79 14.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.93 -175.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.492 ' OE2' ' HG2' ' A' ' 53' ' ' LYS . 0.9 OUTLIER -56.92 -45.17 82.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 -179.158 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.492 ' HG2' ' OE2' ' A' ' 52' ' ' GLU . 32.1 mmtm -53.06 -53.56 48.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.351 175.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -53.2 -48.0 68.44 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 -178.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.476 HG21 ' O ' ' A' ' 51' ' ' THR . 89.0 t -59.81 -44.56 94.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.015 -177.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -83.35 -14.6 52.5 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.645 0.259 . . . . 0.0 111.648 -175.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 53' ' ' LYS . 88.4 mt -84.24 -47.41 17.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 173.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.507 ' HA3' HG23 ' A' ' 6' ' ' ILE . . . -59.79 131.96 50.93 Favored Glycine 0 C--N 1.332 0.329 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.451 178.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -90.1 -56.16 3.33 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.776 0.322 . . . . 0.0 110.278 -176.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.523 ' HA ' HG12 ' A' ' 79' ' ' VAL . 22.1 m -101.57 144.33 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.736 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.608 HG22 HD12 ' A' ' 6' ' ' ILE . 39.5 t -109.57 125.37 66.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.954 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.3 mt -116.71 119.72 62.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.866 0.365 . . . . 0.0 110.38 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -106.74 110.04 22.11 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.983 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.631 ' HB1' HG23 ' A' ' 9' ' ' THR . . . -106.6 91.1 3.54 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 172.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.527 HG12 ' HB3' ' A' ' 10' ' ' ALA . 18.4 m -135.1 155.39 37.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -168.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.994 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 38.1 t70 -112.6 14.64 20.15 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.399 -1.273 . . . . 0.0 108.762 175.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.553 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 15.0 t -171.9 -165.04 0.34 Allowed 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.573 -178.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -73.87 177.34 5.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 111.283 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.469 ' CG1' HG13 ' A' ' 65' ' ' VAL . 28.6 m -134.9 154.23 36.17 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 CA-C-O 121.25 0.548 . . . . 0.0 111.163 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.649 ' HB2' HD13 ' A' ' 46' ' ' ILE . 19.2 mmt180 -90.22 -21.41 22.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.789 176.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.595 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 24.8 m-80 -82.75 -8.61 59.58 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -174.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.434 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 29.0 tptp -59.82 -24.55 64.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.913 0.387 . . . . 0.0 110.391 -177.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -55.12 -42.28 72.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.799 178.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.595 ' HG2' ' O ' ' A' ' 71' ' ' ASN . 9.5 ptp180 -92.32 -16.92 25.41 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -169.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.788 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 17.7 m-85 -92.67 46.46 1.24 Allowed 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.223 -0.298 . . . . 0.0 110.844 178.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.432 ' CG ' ' H ' ' A' ' 77' ' ' GLY . 3.1 p-10 -61.07 -80.77 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.928 -177.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.432 ' H ' ' CG ' ' A' ' 76' ' ' ASP . . . -86.26 47.98 3.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.095 -0.574 . . . . 0.0 111.759 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.788 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 28.2 mtpp -126.93 159.54 33.69 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -178.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.523 HG12 ' HA ' ' A' ' 60' ' ' VAL . 4.0 p -82.45 117.01 27.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.285 0.564 . . . . 0.0 110.656 -176.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.486 ' HA ' ' HB ' ' A' ' 61' ' ' VAL . 90.4 t -111.52 119.13 59.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.293 -176.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.638 HD22 HD13 ' A' ' 102' ' ' LEU . 3.2 tm? -109.6 107.87 18.1 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 174.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -102.9 135.62 44.24 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.081 -176.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 18.6 m -139.92 158.77 66.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.666 177.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.473 ' HG2' ' HB1' ' A' ' 87' ' ' ALA . 19.4 Cg_endo -60.37 149.28 86.85 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 121.898 1.732 . . . . 0.0 110.637 171.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.7 p -56.22 -30.96 31.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -174.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.491 ' HA ' HD11 ' A' ' 89' ' ' ILE . 32.3 t -75.5 -20.14 58.94 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.473 ' HB1' ' HG2' ' A' ' 84' ' ' PRO . . . -64.58 -54.58 35.73 Favored Pre-proline 0 CA--C 1.538 0.483 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -171.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.625 ' HG3' ' HB3' ' A' ' 64' ' ' ALA . 64.6 Cg_endo -70.72 -4.25 14.3 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 122.094 1.863 . . . . 0.0 112.712 -175.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.79 HG22 ' HE2' ' A' ' 20' ' ' MET . 60.1 mt -79.22 -38.36 20.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.42 0.629 . . . . 0.0 109.65 176.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -95.94 -48.98 5.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.089 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.61 ' HB3' ' HB3' ' A' ' 94' ' ' LYS . 53.9 m-20 -105.19 41.96 1.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.45 -173.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.22 -49.48 63.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.592 0.234 . . . . 0.0 111.55 -176.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -59.09 -43.23 91.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.166 0.508 . . . . 0.0 110.195 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.61 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 62.2 tttm -71.1 -38.37 72.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.642 -172.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 91' ' ' ASP . 99.8 t -64.08 -44.57 97.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.505 177.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 76.2 mt -64.22 -44.67 97.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.643 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -62.75 -41.41 99.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.276 178.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.472 ' O ' ' HG ' ' A' ' 102' ' ' LEU . . . -59.87 -42.37 93.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.226 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.53 93.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.814 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 80.5 mt -69.72 -35.24 74.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.635 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.19 -18.57 64.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.668 -179.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.638 HD13 HD22 ' A' ' 81' ' ' LEU . 80.3 mt -76.78 -32.58 57.78 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.354 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.442 HG13 ' N ' ' A' ' 104' ' ' ASP . 28.7 pt -105.56 -42.05 6.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -176.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.442 ' N ' HG13 ' A' ' 103' ' ' ILE . 22.9 t70 . . . . . 0 C--N 1.321 -0.65 0 CA-C-O 120.79 0.329 . . . . 0.0 110.409 -175.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 94.2 mttt . . . . . 0 N--CA 1.464 0.272 0 CA-C-O 120.868 0.366 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.414 ' NH1' ' HG3' ' A' ' 59' ' ' GLU . 4.3 tpt85 -63.62 128.63 36.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.476 -174.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp -82.46 120.31 25.3 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.876 -177.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.462 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 75.4 mt -139.07 134.79 41.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.879 0.371 . . . . 0.0 111.506 -176.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.693 HD11 HG22 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -115.89 135.83 54.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 169.864 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -135.66 130.76 34.82 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 122.333 -0.23 . . . . 0.0 110.454 -176.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.2 t -107.95 113.3 43.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.207 0.527 . . . . 0.0 110.774 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.416 HG23 ' HB1' ' A' ' 64' ' ' ALA . 22.6 p -102.38 118.16 36.28 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.564 175.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.721 ' HB1' HG12 ' A' ' 65' ' ' VAL . . . -139.3 127.22 22.2 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.883 0.373 . . . . 0.0 111.311 -175.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.538 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 41.5 t -158.28 130.79 7.09 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.19 -36.96 34.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.06 0.457 . . . . 0.0 110.494 -178.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.4 p -96.46 125.11 40.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.169 -177.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.39 74.21 0.92 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.192 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.9 t -56.91 -34.85 45.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.912 0.386 . . . . 0.0 111.209 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.76 -29.02 69.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.69 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -73.52 -41.25 63.29 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.538 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 5.9 m -57.57 -50.46 73.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.484 176.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -68.66 -32.27 71.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.006 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.456 ' HA ' HE21 ' A' ' 23' ' ' GLN . 24.8 ttt -62.92 -45.77 90.94 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.106 -0.237 . . . . 0.0 110.591 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.95 -37.76 83.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.081 0.467 . . . . 0.0 110.155 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.622 ' HA ' HG11 ' A' ' 38' ' ' VAL . . . -64.68 -49.58 70.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.473 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.456 HE21 ' HA ' ' A' ' 20' ' ' MET . 28.4 pt20 -73.21 -29.28 62.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.136 -178.113 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.86 -46.01 72.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.929 0.395 . . . . 0.0 110.127 176.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' A' ' 88' ' ' PRO . 62.8 mt -61.55 -44.1 97.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.136 175.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -58.76 -37.9 77.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.148 0.499 . . . . 0.0 110.136 176.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -67.1 -52.59 39.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.22 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.7 -48.67 83.67 Favored Glycine 0 CA--C 1.518 0.275 0 CA-C-N 115.955 -0.566 . . . . 0.0 113.239 -176.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.404 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -63.86 -32.94 74.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.736 0.303 . . . . 0.0 111.338 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.717 ' HZ3' ' HB2' ' A' ' 30' ' ' LYS . 4.8 ttmp? -69.14 -37.62 78.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.005 0.431 . . . . 0.0 110.271 177.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -60.43 -41.48 94.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.406 177.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 84.6 mtp -74.85 -24.41 58.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.257 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.91 57.88 1.46 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.063 -0.589 . . . . 0.0 111.762 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -128.76 177.66 6.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.825 0.345 . . . . 0.0 111.213 -173.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 mp -114.36 107.84 16.11 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 176.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.462 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 15.3 tt -125.79 134.39 66.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.38 0.609 . . . . 0.0 111.3 -173.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -116.63 104.24 11.19 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.072 173.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.622 HG11 ' HA ' ' A' ' 22' ' ' ALA . 17.6 t -94.55 125.32 47.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.026 -178.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.659 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 29.8 tt0 -96.29 132.19 42.03 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.959 177.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.893 ' HB ' ' HB3' ' A' ' 47' ' ' GLU . 13.9 m -108.16 102.28 11.44 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.52 ' O ' ' HA ' ' A' ' 10' ' ' ALA . 4.5 tt0 -103.92 110.74 22.99 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -178.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.69 -111.75 3.57 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.369 -0.919 . . . . 0.0 112.734 -174.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.72 81.46 5.81 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.581 0.229 . . . . 0.0 110.603 -175.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.7 p 51.97 22.94 1.96 Allowed 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.624 0.77 . . . . 0.0 111.784 -177.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -139.34 150.44 21.31 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 178.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -110.49 130.35 63.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 C-N-CA 120.404 -0.519 . . . . 0.0 110.849 -173.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.893 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 8.3 tp10 -79.74 -49.17 12.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.382 0.611 . . . . 0.0 109.476 177.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -130.21 79.4 1.9 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.661 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -74.32 125.17 27.88 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.269 0.557 . . . . 0.0 111.249 -177.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.659 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 70.8 mt -76.07 149.54 37.46 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.359 -179.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.8 p -106.78 172.72 6.66 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.056 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -59.12 -42.34 90.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.825 0.345 . . . . 0.0 111.166 -174.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.476 ' HB2' ' HZ2' ' A' ' 53' ' ' LYS . 0.4 OUTLIER -59.19 -39.45 82.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.317 -178.794 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -67.71 -42.95 81.18 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.745 0.783 . . . . 0.0 109.738 -177.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 1.099 HG23 ' HD2' ' A' ' 74' ' ' ARG . 72.5 t -62.36 -44.15 98.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 114.333 -1.303 . . . . 0.0 111.811 -177.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -78.66 -11.8 59.99 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.401 -175.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 68.9 mt -88.31 -42.69 15.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.109 173.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.475 ' HA3' HD13 ' A' ' 6' ' ' ILE . . . -59.2 130.63 50.97 Favored Glycine 0 CA--C 1.521 0.406 0 C-N-CA 121.25 -0.5 . . . . 0.0 113.214 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.414 ' HG3' ' NH1' ' A' ' 3' ' ' ARG . 9.2 mm-40 -75.65 -55.05 6.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.997 0.427 . . . . 0.0 110.356 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.2 m -117.93 152.34 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.654 -179.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.693 HG22 HD11 ' A' ' 6' ' ' ILE . 8.2 t -117.32 121.88 68.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.31 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.9 mp -101.34 131.85 48.3 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -115.13 117.45 30.58 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.98 0.419 . . . . 0.0 110.995 178.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.693 ' HB2' ' HA ' ' A' ' 85' ' ' VAL . . . -114.94 90.16 3.27 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 170.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.721 HG12 ' HB1' ' A' ' 10' ' ' ALA . 22.2 m -132.91 135.61 56.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -167.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.499 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 0.8 OUTLIER -101.15 -23.27 14.49 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 113.999 -1.455 . . . . 0.0 109.277 172.813 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.3 t -125.2 -169.98 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.095 -177.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.436 ' HE2' ' HB3' ' A' ' 68' ' ' LYS . 28.3 ttpt -86.73 148.9 25.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.386 -178.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.464 ' CG2' ' HB2' ' A' ' 72' ' ' LYS . 22.3 m -120.6 143.04 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.861 0.362 . . . . 0.0 110.164 176.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -76.77 -32.81 57.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.007 0.432 . . . . 0.0 111.177 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -82.35 -7.27 59.63 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -169.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.481 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 82.9 tttt -60.02 -23.15 63.45 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 177.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -41.02 -52.42 3.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.839 175.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 1.099 ' HD2' HG23 ' A' ' 55' ' ' VAL . 11.8 ptp180 -83.22 -32.63 26.41 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -178.4 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.481 ' HD2' ' HA ' ' A' ' 72' ' ' LYS . 24.6 m-85 -67.93 -8.47 37.12 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.82 0.343 . . . . 0.0 111.123 177.075 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.96 -42.57 85.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.761 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -96.4 41.13 2.44 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.825 -0.703 . . . . 0.0 111.928 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -140.11 176.43 8.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.726 0.298 . . . . 0.0 110.206 -178.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.467 HG12 HG22 ' A' ' 103' ' ' ILE . 59.3 t -92.67 118.9 39.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 178.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.607 HG12 ' HB ' ' A' ' 61' ' ' VAL . 2.8 m -127.09 161.21 34.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.304 0.574 . . . . 0.0 111.75 -174.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.613 HD21 HD13 ' A' ' 102' ' ' LEU . 3.3 tm? -133.94 108.51 8.45 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 174.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -107.62 124.68 50.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.036 -173.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.419 ' HB ' ' HD2' ' A' ' 84' ' ' PRO . 11.7 m -139.38 169.67 11.78 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.449 -178.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.419 ' HD2' ' HB ' ' A' ' 83' ' ' VAL . 33.4 Cg_exo -61.01 148.76 91.87 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.513 2.142 . . . . 0.0 111.244 173.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.693 ' HA ' ' HB2' ' A' ' 64' ' ' ALA . 11.8 p -61.53 -28.04 43.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -175.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.3 t -73.74 -24.27 59.86 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 120.756 0.312 . . . . 0.0 111.525 -178.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.602 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -63.51 -54.56 42.35 Favored Pre-proline 0 CA--C 1.539 0.54 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -173.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.655 ' HG2' ' HB3' ' A' ' 64' ' ' ALA . 15.7 Cg_exo -70.02 -1.29 8.44 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 122.253 1.968 . . . . 0.0 113.075 -176.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 38.2 mt -76.14 -45.0 36.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.854 0.359 . . . . 0.0 110.456 177.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -96.66 -26.86 15.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.534 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.523 ' O ' HG22 ' A' ' 95' ' ' VAL . 37.0 m-20 -121.78 40.76 3.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.482 -175.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.56 -49.39 65.03 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -176.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.2 mp0 -63.69 -37.8 88.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.826 0.346 . . . . 0.0 110.927 -178.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.422 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 38.3 ttpt -72.82 -34.63 66.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.406 -175.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.523 HG22 ' O ' ' A' ' 91' ' ' ASP . 84.8 t -64.66 -42.99 96.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.17 0.509 . . . . 0.0 109.994 176.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.497 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 94.9 mt -64.2 -48.18 86.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.663 177.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -60.63 -38.58 85.23 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.307 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.415 ' O ' ' HG ' ' A' ' 102' ' ' LEU . . . -63.57 -45.28 91.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.878 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.81 98.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.066 0.46 . . . . 0.0 111.032 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 91.6 mt -66.4 -35.78 81.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.182 -179.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.39 -21.37 64.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.536 -178.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.613 HD13 HD21 ' A' ' 81' ' ' LEU . 81.8 mt -65.92 -25.58 67.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.989 -178.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.467 HG22 HG12 ' A' ' 79' ' ' VAL . 29.5 pt -115.33 -32.68 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.684 179.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.1 t70 . . . . . 0 C--N 1.327 -0.402 0 CA-C-O 120.577 0.227 . . . . 0.0 110.966 -177.529 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 46.0 mttp . . . . . 0 CA--C 1.52 -0.201 0 CA-C-O 120.831 0.348 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -140.56 131.81 26.58 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 172.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.678 ' HB3' ' HA2' ' A' ' 58' ' ' GLY . 43.3 mmtm -83.01 122.68 28.62 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 173.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 57.3 mt -129.55 114.18 30.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 110.477 -0.194 . . . . 0.0 110.477 -178.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.662 ' H ' HD12 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -96.18 119.45 44.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.421 0.629 . . . . 0.0 109.503 174.718 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.403 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -127.18 130.13 49.15 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.786 -174.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.412 ' HB ' ' CD1' ' A' ' 63' ' ' PHE . 58.1 t -109.45 126.28 66.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.042 0.448 . . . . 0.0 110.536 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.564 HG23 ' HB3' ' A' ' 64' ' ' ALA . 18.8 p -115.51 122.77 46.73 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.835 177.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -145.39 97.51 3.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.739 0.304 . . . . 0.0 111.534 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.909 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 41.8 t -108.8 125.93 52.49 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 176.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.75 -31.43 18.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.064 0.459 . . . . 0.0 110.154 178.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.2 m -62.11 -60.02 4.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.062 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.31 117.05 1.54 Allowed Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.474 -0.869 . . . . 0.0 112.329 -177.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.6 m -64.76 -18.92 24.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.064 0.459 . . . . 0.0 111.051 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.57 -31.56 72.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.582 175.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -72.21 -41.9 66.38 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 41' ' ' GLN . 20.3 m -58.43 -48.45 80.66 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.512 178.243 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -72.06 -41.9 66.89 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.958 -175.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 18.9 tpt -63.85 -43.1 97.16 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.15 -48.09 81.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.783 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.24 -34.61 76.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.083 -176.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -80.53 -42.01 23.17 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.151 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.46 -40.8 89.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.173 0.511 . . . . 0.0 110.339 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.2 tp -66.22 -37.26 85.13 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.446 177.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.612 ' HB2' ' HZ1' ' A' ' 26' ' ' LYS . 4.5 ttmp? -63.99 -45.37 89.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.967 177.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -63.42 -39.0 93.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.068 176.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.76 -43.3 98.0 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.024 174.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.02 -41.12 97.54 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -59.13 -38.21 79.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.993 175.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -58.1 -42.85 86.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.683 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.626 ' HB2' ' ND2' ' A' ' 34' ' ' ASN . 90.4 mmm -95.36 3.67 54.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.982 -176.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.16 33.76 56.36 Favored Glycine 0 C--N 1.333 0.388 0 CA-C-N 116.014 -0.539 . . . . 0.0 113.431 174.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.626 ' ND2' ' HB2' ' A' ' 32' ' ' MET . 34.0 m-80 -97.03 170.76 8.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.11 0.481 . . . . 0.0 110.757 -178.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 mp -116.16 105.71 12.89 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 176.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.9 tt -103.27 140.51 21.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.487 0.66 . . . . 0.0 111.431 -171.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.811 ' HG3' HD23 ' A' ' 50' ' ' LEU . 9.5 tppt? -116.39 98.76 6.75 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 175.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 7.3 p -101.85 135.45 38.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.337 0.589 . . . . 0.0 111.691 -173.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.779 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 33.3 tt0 -109.38 125.65 52.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.655 176.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.554 ' OG1' ' HB3' ' A' ' 47' ' ' GLU . 0.9 OUTLIER -108.07 105.29 14.98 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.391 -178.599 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.482 ' HG2' HG12 ' A' ' 46' ' ' ILE . 31.7 mt-30 -104.61 -156.53 0.57 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 175.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 151.06 -88.9 0.13 Allowed Glycine 0 C--N 1.314 -0.681 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.464 173.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.45 83.43 2.45 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.557 0.217 . . . . 0.0 110.786 -178.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.0 m 73.48 -39.16 0.43 Allowed 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 176.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.01 157.43 15.58 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.8 -170.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.482 HG12 ' HG2' ' A' ' 41' ' ' GLN . 60.9 mt -118.37 131.24 71.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.554 ' HB3' ' OG1' ' A' ' 40' ' ' THR . 36.2 tt0 -80.99 -40.17 24.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.94 0.4 . . . . 0.0 111.242 -176.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.563 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 6.0 t30 -129.01 83.98 2.19 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 -178.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -69.08 119.8 13.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.739 -176.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.811 HD23 ' HG3' ' A' ' 37' ' ' LYS . 33.6 mt -82.05 118.2 22.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.965 177.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.453 ' O ' HG22 ' A' ' 55' ' ' VAL . 67.1 p -72.74 167.38 20.96 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -60.57 -26.64 67.09 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.533 ' O ' HG13 ' A' ' 57' ' ' ILE . 32.1 ttpt -67.26 -55.52 13.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.192 176.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.427 ' HB3' ' HG2' ' A' ' 37' ' ' LYS . 44.1 m-20 -55.81 -40.98 73.51 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.28 0.562 . . . . 0.0 110.662 -177.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.772 HG21 ' HG3' ' A' ' 74' ' ' ARG . 58.6 t -68.55 -34.93 68.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.317 -177.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -73.67 -26.71 60.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.699 0.285 . . . . 0.0 110.742 177.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 53' ' ' LYS . 76.3 mt -68.67 -47.78 74.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.137 176.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.678 ' HA2' ' HB3' ' A' ' 4' ' ' LYS . . . -63.37 138.26 43.17 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.985 -0.552 . . . . 0.0 113.321 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -80.56 -69.75 0.58 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.047 0.451 . . . . 0.0 109.932 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.0 m -97.84 148.61 5.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.087 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.61 ' HB ' HG11 ' A' ' 80' ' ' VAL . 31.1 t -110.82 136.99 45.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.994 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.5 mt -124.52 127.57 73.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 176.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.701 ' HB2' ' HG2' ' A' ' 82' ' ' GLU . 41.4 m-85 -112.14 107.67 16.67 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.914 179.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.644 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -107.92 90.41 3.29 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 172.266 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.0 m -132.47 145.95 33.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.712 0.768 . . . . 0.0 112.886 -170.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.909 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 19.5 t70 -108.19 -11.43 15.25 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.308 -1.315 . . . . 0.0 109.214 176.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.1 t -139.78 -170.75 3.0 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.416 178.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -74.3 146.78 42.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.221 0.534 . . . . 0.0 111.465 -176.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.3 p -109.53 118.26 56.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.094 174.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.485 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 12.9 ttm180 -74.52 -45.3 46.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.834 -175.077 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.415 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 10.9 m-20 -66.65 -6.18 14.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.479 -176.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.495 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 31.6 ttmt -50.09 -22.8 1.78 Allowed 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.212 0.32 . . . . 0.0 111.075 177.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 29.8 mt-10 -41.02 -47.41 3.06 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.756 176.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.772 ' HG3' HG21 ' A' ' 55' ' ' VAL . 8.2 ptp180 -85.57 -21.98 28.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.392 -175.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.785 ' HA ' ' HG3' ' A' ' 78' ' ' LYS . 55.9 m-85 -88.67 16.91 6.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.982 0.42 . . . . 0.0 110.309 176.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -82.26 -49.06 10.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.536 -173.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.15 46.08 3.22 Favored Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 173.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.785 ' HG3' ' HA ' ' A' ' 75' ' ' PHE . 12.0 mmmt -132.56 166.58 21.76 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 -174.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.8 p -96.4 108.68 21.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 176.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.61 HG11 ' HB ' ' A' ' 61' ' ' VAL . 2.2 m -116.81 153.24 18.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.184 0.516 . . . . 0.0 111.746 -172.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.504 HD21 HD13 ' A' ' 102' ' ' LEU . 1.9 tm? -129.59 115.87 18.04 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 173.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.701 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 42.3 mt-10 -104.55 134.73 47.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.257 0.551 . . . . 0.0 111.722 -173.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.436 ' HB ' ' HD2' ' A' ' 84' ' ' PRO . 17.4 m -142.9 164.64 30.95 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.511 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.62 ' HG2' ' HB2' ' A' ' 87' ' ' ALA . 23.0 Cg_endo -61.63 150.44 85.54 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.0 1.8 . . . . 0.0 110.92 171.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.644 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 8.8 p -64.63 -28.26 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.22 0.533 . . . . 0.0 110.894 -175.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.416 ' HA ' HD12 ' A' ' 89' ' ' ILE . 15.4 m -74.35 -18.89 60.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.762 -0.653 . . . . 0.0 112.486 -178.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.621 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -67.49 -57.72 9.84 Favored Pre-proline 0 CA--C 1.539 0.544 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -174.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.621 ' HD3' ' HB3' ' A' ' 87' ' ' ALA . 14.4 Cg_exo -68.54 0.48 4.72 Favored 'Trans proline' 0 C--N 1.359 1.119 0 C-N-CA 122.369 2.046 . . . . 0.0 113.043 -174.162 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 86' ' ' SER . 96.0 mt -72.61 -36.98 55.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 172.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -97.74 -64.9 1.0 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.886 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.816 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 11.9 p-10 -105.72 42.27 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.142 0.496 . . . . 0.0 111.654 -168.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.577 ' HB1' ' O ' ' A' ' 88' ' ' PRO . . . -53.11 -35.39 59.61 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.859 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -59.15 -41.54 88.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.451 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.816 ' HD3' ' HB2' ' A' ' 91' ' ' ASP . 10.7 mtpt -66.27 -46.17 77.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.188 178.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 45.1 t -58.37 -40.92 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.856 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.579 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 82.2 mt -63.86 -50.5 77.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.706 179.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -63.35 -37.27 86.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.889 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.63 86.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.817 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.07 -42.08 66.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.605 177.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 79.3 mt -63.19 -38.85 92.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.641 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.11 -17.51 57.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.975 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.504 HD13 HD21 ' A' ' 81' ' ' LEU . 60.4 mt -73.85 -41.16 62.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.666 0.27 . . . . 0.0 111.321 -178.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 33.4 pt -98.09 -19.95 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.936 0.398 . . . . 0.0 111.362 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.229 -179.113 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 -65.34 119.32 10.74 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.392 -175.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.481 ' HE2' HD22 ' A' ' 35' ' ' LEU . 27.7 mmtp -79.16 109.83 13.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.436 177.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 62.9 mt -115.68 127.73 73.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.734 -177.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.664 HD11 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -104.48 129.8 56.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 174.474 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.459 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -135.02 141.1 46.11 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.842 0.353 . . . . 0.0 110.813 -175.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.545 ' HB ' ' CE1' ' A' ' 63' ' ' PHE . 64.1 t -128.88 132.11 67.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 177.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.511 HG21 ' HB3' ' A' ' 22' ' ' ALA . 4.0 t -124.91 135.38 52.81 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.744 177.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.563 ' HB1' ' HB3' ' A' ' 41' ' ' GLN . . . -164.22 99.94 0.84 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.132 -173.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.436 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 42.0 t -94.52 -18.69 21.21 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 174.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.68 ' HB3' HG21 ' A' ' 67' ' ' THR . . . 64.2 -75.92 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.746 0.819 . . . . 0.0 112.02 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 m -62.43 -53.61 52.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.21 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.65 69.15 1.73 Allowed Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.789 -0.72 . . . . 0.0 111.357 175.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.8 p -58.66 -28.67 37.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 122.373 0.269 . . . . 0.0 111.624 -176.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.93 -30.7 71.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.066 0.46 . . . . 0.0 111.004 178.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -71.23 -32.59 68.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.815 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.8 m -58.38 -44.28 88.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.688 177.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.461 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 81.4 m-85 -71.84 -40.59 68.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.452 -177.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.3 tpt -61.78 -44.83 96.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.839 0.352 . . . . 0.0 110.755 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.96 -46.94 85.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.707 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.511 ' HB3' HG21 ' A' ' 9' ' ' THR . . . -57.79 -50.76 72.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.908 -178.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 19' ' ' TYR . 4.2 pt20 -66.91 -41.97 86.22 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.734 -175.306 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.32 -46.76 66.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.904 0.383 . . . . 0.0 110.79 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.0 tp -57.8 -47.02 83.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.092 177.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -68.38 -30.34 69.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.944 -177.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -64.4 -48.44 75.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.507 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.31 -29.37 71.91 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 121.081 -0.581 . . . . 0.0 112.481 -178.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.23 -44.49 91.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.663 0.268 . . . . 0.0 111.139 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -69.57 -31.31 69.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.414 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -58.62 -44.44 89.99 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.509 178.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.1 mmt -78.04 -5.17 50.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.246 -177.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.55 47.73 7.16 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.887 176.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -127.84 173.8 9.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.819 0.343 . . . . 0.0 110.61 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.481 HD22 ' HE2' ' A' ' 4' ' ' LYS . 9.7 mp -111.64 124.39 52.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.726 177.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.8 tt -127.23 140.3 49.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.114 0.483 . . . . 0.0 110.667 -176.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -116.61 103.43 10.38 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.448 176.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 19.2 t -101.82 122.05 53.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.904 0.383 . . . . 0.0 110.982 -176.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.689 ' OE1' ' HA ' ' A' ' 49' ' ' GLU . 29.4 tt0 -94.83 124.45 38.87 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.985 178.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.0 p -100.32 107.51 19.32 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.172 0.511 . . . . 0.0 110.412 176.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.725 ' HG3' HG12 ' A' ' 46' ' ' ILE . 6.8 tt0 -109.81 106.13 15.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.409 179.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.571 ' O ' ' HA ' ' A' ' 12' ' ' ALA . . . -87.31 -105.04 0.86 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.214 -176.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.437 ' C ' ' H ' ' A' ' 45' ' ' GLY . . . -118.94 89.13 3.07 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.1 m 71.12 -10.45 0.77 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.857 -176.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.437 ' H ' ' C ' ' A' ' 43' ' ' ALA . . . -107.87 110.31 3.13 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.85 -177.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.725 HG12 ' HG3' ' A' ' 41' ' ' GLN . 16.0 mt -99.92 131.11 47.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.425 ' CD ' ' HH ' ' A' ' 19' ' ' TYR . 44.8 mt-10 -104.21 21.46 16.5 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.944 -173.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -161.15 -68.28 0.06 Allowed 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 121.183 -0.207 . . . . 0.0 110.691 -179.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.689 ' HA ' ' OE1' ' A' ' 39' ' ' GLU . 31.4 tt0 61.35 97.84 0.03 OUTLIER 'General case' 0 C--O 1.237 0.422 0 O-C-N 123.9 0.75 . . . . 0.0 110.423 -174.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.476 HD11 ' HB ' ' A' ' 6' ' ' ILE . 80.4 mt -61.37 130.46 46.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.717 -177.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.482 ' O ' HG21 ' A' ' 55' ' ' VAL . 30.7 p -74.66 159.79 31.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.186 -178.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.99 -33.5 70.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.913 0.387 . . . . 0.0 110.016 176.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.512 ' O ' HG13 ' A' ' 57' ' ' ILE . 16.9 tptp -65.96 -52.29 51.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.163 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -57.39 -40.35 78.0 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.048 0.451 . . . . 0.0 110.869 178.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.699 HG12 ' HB3' ' A' ' 74' ' ' ARG . 41.1 t -61.57 -35.04 64.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.335 -0.848 . . . . 0.0 112.043 -179.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -82.19 -31.03 30.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.647 0.26 . . . . 0.0 111.154 178.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 53' ' ' LYS . 82.3 mt -65.55 -48.13 83.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.931 0.396 . . . . 0.0 109.972 176.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.83 143.47 43.62 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.692 174.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -98.33 -66.99 0.87 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.806 0.336 . . . . 0.0 110.769 -177.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.472 HG21 ' HB1' ' A' ' 99' ' ' ALA . 14.6 p -94.72 144.1 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -178.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.703 ' HB ' ' HB ' ' A' ' 80' ' ' VAL . 13.2 t -109.9 142.42 22.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.699 -176.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.7 mt -119.43 117.52 54.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.362 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.545 ' CE1' ' HB ' ' A' ' 8' ' ' VAL . 1.5 m-85 -106.06 119.33 38.93 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.007 0.432 . . . . 0.0 110.783 177.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.478 ' HB2' ' HA ' ' A' ' 85' ' ' VAL . . . -122.72 88.84 3.0 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 171.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.512 HG11 ' N ' ' A' ' 10' ' ' ALA . 28.9 m -141.42 174.88 6.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.238 0.542 . . . . 0.0 111.795 -168.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.436 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 18.6 t70 -135.73 -17.54 1.69 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.716 173.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.68 HG21 ' HB3' ' A' ' 12' ' ' ALA . 15.1 t -121.77 -166.33 1.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.007 -175.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -70.74 152.36 43.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.969 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 1.014 ' HB ' ' HG3' ' A' ' 72' ' ' LYS . 73.1 t -129.21 135.22 62.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.315 178.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.688 ' HD3' HD11 ' A' ' 46' ' ' ILE . 28.0 mtp-105 -88.7 -14.6 36.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -176.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.464 ' HB3' ' CE2' ' A' ' 75' ' ' PHE . 0.5 OUTLIER -86.05 -7.86 58.33 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.185 174.455 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 1.014 ' HG3' ' HB ' ' A' ' 69' ' ' VAL . 50.1 mtpt -55.61 -41.65 73.77 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -173.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -59.1 -33.12 70.46 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.768 0.318 . . . . 0.0 111.436 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.699 ' HB3' HG12 ' A' ' 55' ' ' VAL . 9.2 mtm180 -69.44 -35.67 75.9 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.955 178.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.641 ' CE1' HG13 ' A' ' 6' ' ' ILE . 11.8 m-85 -99.38 11.24 39.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.706 0.288 . . . . 0.0 110.927 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -70.62 -39.34 73.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.327 -170.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -101.09 26.9 22.97 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.718 177.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.414 ' HG3' ' HA ' ' A' ' 75' ' ' PHE . 1.6 mtmp? -128.65 -177.39 4.17 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -176.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.9 t -94.94 122.08 46.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.734 0.302 . . . . 0.0 110.523 -177.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.703 ' HB ' ' HB ' ' A' ' 61' ' ' VAL . 2.6 p -144.25 138.83 24.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.015 0.436 . . . . 0.0 111.152 -177.07 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.3 tp -100.17 123.32 44.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.449 173.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.57 109.76 21.77 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.5 m -119.99 160.77 41.56 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.654 176.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -56.73 148.31 66.4 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.324 2.016 . . . . 0.0 111.175 173.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.478 ' HA ' ' HB2' ' A' ' 64' ' ' ALA . 7.5 p -63.15 -24.91 37.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-O 120.849 0.357 . . . . 0.0 111.129 -175.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.7 m -74.93 -19.57 60.07 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 177.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.06 -51.28 37.37 Favored Pre-proline 0 CA--C 1.543 0.682 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -171.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -73.97 13.0 0.87 Allowed 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 121.973 1.782 . . . . 0.0 113.534 -174.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 94.3 mt -82.95 -58.46 3.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.633 0.254 . . . . 0.0 111.09 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -96.35 -13.31 23.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.822 0.344 . . . . 0.0 111.164 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.497 ' O ' HG22 ' A' ' 95' ' ' VAL . 23.9 m-20 -125.59 37.74 4.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.793 0.33 . . . . 0.0 111.067 -176.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.63 -46.48 77.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.339 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -64.76 -33.4 75.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.779 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -66.61 -43.06 85.81 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 91' ' ' ASP . 62.4 t -60.9 -44.11 97.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.644 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.452 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 84.2 mt -62.36 -46.71 95.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.783 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -65.67 -38.95 90.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.237 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.97 -36.59 78.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.721 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.472 ' HB1' HG21 ' A' ' 60' ' ' VAL . . . -62.24 -37.51 85.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.428 177.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 84.2 mt -71.05 -31.44 67.88 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.468 178.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.4 -31.02 70.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.751 0.31 . . . . 0.0 110.888 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.17 -37.27 86.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.746 178.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 26.7 pt -93.04 -1.19 10.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.071 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 38.8 t70 . . . . . 0 C--O 1.231 0.106 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.889 -171.298 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.8 mtmm . . . . . 0 C--O 1.235 0.295 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.857 ' HE ' ' HG3' ' A' ' 59' ' ' GLU . 4.8 tpt180 -151.56 148.11 27.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.799 172.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.43 ' CB ' ' HA2' ' A' ' 58' ' ' GLY . 73.3 mmtt -84.13 124.56 31.27 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 177.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.531 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 67.4 mt -132.41 131.66 60.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.904 0.383 . . . . 0.0 110.876 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.588 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -112.32 136.5 48.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 173.817 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.535 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -139.23 137.88 36.34 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.884 0.373 . . . . 0.0 111.172 -175.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.432 HG13 HG22 ' A' ' 69' ' ' VAL . 88.5 t -111.79 114.32 46.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.944 176.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.4 p -102.19 112.5 25.2 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.704 177.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.738 ' HB1' ' HB3' ' A' ' 41' ' ' GLN . . . -129.05 145.28 51.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.803 -175.058 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.885 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 49.8 t -162.05 131.9 4.66 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 174.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.34 -16.84 12.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.942 0.401 . . . . 0.0 111.145 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.9 p -86.82 -52.11 5.68 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.03 0.443 . . . . 0.0 111.007 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -113.01 96.1 0.8 Allowed Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 177.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.458 HG13 ' HE2' ' A' ' 19' ' ' TYR . 31.8 t -56.53 -41.56 73.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.681 0.277 . . . . 0.0 111.735 -174.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.65 -27.3 67.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.519 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.6 m170 -67.28 -36.39 81.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.249 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.523 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 4.3 m -60.73 -46.77 89.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.969 -178.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.458 ' HE2' HG13 ' A' ' 15' ' ' VAL . 55.6 m-85 -70.74 -37.9 73.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.113 0.482 . . . . 0.0 110.455 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 51.0 ttm -66.91 -45.34 78.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.395 -176.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.417 ' HA ' HG12 ' A' ' 89' ' ' ILE . . . -59.22 -43.98 92.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.328 -177.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.485 ' O ' ' HG2' ' A' ' 26' ' ' LYS . . . -64.59 -51.32 63.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.811 -178.068 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -66.36 -35.24 79.85 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.232 -176.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.99 -41.27 71.18 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.186 0.517 . . . . 0.0 110.201 178.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.611 HD11 ' HB3' ' A' ' 88' ' ' PRO . 55.2 tp -62.47 -38.87 91.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.599 176.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' A' ' 22' ' ' ALA . 12.7 mmmm -55.76 -43.12 76.38 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.189 177.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -61.23 -48.53 81.05 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.278 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.54 -40.68 98.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.433 -179.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.47 -50.27 63.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.06 0.457 . . . . 0.0 111.33 -178.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -67.96 -26.09 65.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.422 -177.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.459 ' HD2' ' OE1' ' A' ' 93' ' ' GLU . 35.0 ttmt -68.57 -35.6 77.61 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.977 0.418 . . . . 0.0 110.354 176.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.499 ' HE1' ' OE1' ' A' ' 93' ' ' GLU . 24.8 mmt -84.61 -4.89 59.22 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.216 -178.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.17 19.85 56.4 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.112 -0.566 . . . . 0.0 113.802 172.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -108.11 170.31 8.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 117.17 0.485 . . . . 0.0 110.88 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -111.5 117.05 31.95 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.846 -177.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.531 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 17.4 tt -120.88 142.23 37.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.325 0.583 . . . . 0.0 111.146 -174.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -122.17 107.8 12.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.155 177.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.535 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 23.2 m -100.76 133.35 44.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -173.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.879 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 24.6 tt0 -95.55 133.45 39.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.008 174.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 1.017 ' HB ' ' HB3' ' A' ' 47' ' ' GLU . 6.4 m -97.38 98.08 9.66 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 176.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.738 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 7.4 tp-100 -106.23 127.2 53.06 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.761 -172.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -122.14 13.79 8.99 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.51 -0.852 . . . . 0.0 111.804 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 70.84 -52.36 0.67 Allowed 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.587 0.755 . . . . 0.0 111.269 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 m -69.22 -24.3 64.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.632 177.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.27 152.04 20.82 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.369 -178.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.706 HG12 HE22 ' A' ' 41' ' ' GLN . 20.5 mt -103.95 122.26 56.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 177.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 1.017 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 10.4 tp10 -85.02 -37.03 20.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.904 0.383 . . . . 0.0 110.256 -177.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -135.79 87.75 2.34 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -67.11 121.72 16.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.397 -176.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.879 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 57.5 mt -82.43 107.92 15.46 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 173.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.532 ' O ' HG21 ' A' ' 55' ' ' VAL . 57.6 p -78.06 169.29 18.53 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.705 -176.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.417 ' CD ' ' H ' ' A' ' 52' ' ' GLU . 9.9 mp0 -52.6 -41.99 64.16 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 177.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.488 ' O ' HG12 ' A' ' 57' ' ' ILE . 87.1 tttt -52.97 -49.8 65.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.435 177.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -62.77 -44.63 95.67 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.228 0.537 . . . . 0.0 110.692 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.712 HG11 ' HG3' ' A' ' 74' ' ' ARG . 40.4 t -68.39 -34.65 67.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.726 -174.012 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.94 -25.77 64.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.203 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 53' ' ' LYS . 48.7 mm -78.89 -48.92 21.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.854 -177.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.43 ' HA2' ' CB ' ' A' ' 4' ' ' LYS . . . -67.19 142.79 41.85 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.033 -0.603 . . . . 0.0 113.446 -178.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.857 ' HG3' ' HE ' ' A' ' 3' ' ' ARG . 23.3 mm-40 -79.85 -70.55 0.51 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.106 0.479 . . . . 0.0 110.41 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.0 m -97.73 149.57 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.15 -176.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.683 HG13 ' HB3' ' A' ' 75' ' ' PHE . 31.6 t -110.45 118.65 57.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.347 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.7 mt -97.14 119.55 45.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.98 176.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.555 ' CZ ' ' HG3' ' A' ' 72' ' ' LYS . 20.0 m-85 -108.33 110.71 22.34 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.913 0.387 . . . . 0.0 111.143 177.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.574 ' HB3' ' HA ' ' A' ' 85' ' ' VAL . . . -116.73 90.78 3.41 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 170.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.572 HG13 ' HB2' ' A' ' 10' ' ' ALA . 27.5 m -130.53 137.2 56.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.732 0.777 . . . . 0.0 112.536 -169.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.885 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 6.6 t70 -96.74 -23.33 16.48 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.389 -1.278 . . . . 0.0 109.1 170.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.8 t -125.89 -170.96 2.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.065 -178.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -80.94 171.01 15.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.128 0.49 . . . . 0.0 111.378 -176.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.752 HG13 ' HB2' ' A' ' 72' ' ' LYS . 2.1 p -147.59 120.1 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.106 177.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.501 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 3.6 tmt_? -69.71 -39.92 76.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.73 -175.068 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.408 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 93.1 m-20 -68.36 -7.68 33.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.933 -175.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.752 ' HB2' HG13 ' A' ' 69' ' ' VAL . 19.2 ttpp -54.53 -23.7 17.62 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 122.545 0.338 . . . . 0.0 111.3 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 17.2 mt-10 -40.85 -53.0 2.97 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 123.88 0.737 . . . . 0.0 111.436 178.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.712 ' HG3' HG11 ' A' ' 55' ' ' VAL . 10.3 ptp180 -82.22 -34.34 28.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.79 -1.095 . . . . 0.0 111.895 -172.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.683 ' HB3' HG13 ' A' ' 61' ' ' VAL . 77.0 m-85 -70.54 -32.1 69.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.173 0.511 . . . . 0.0 110.767 -178.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.75 -26.28 67.66 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.341 -172.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -90.37 12.97 66.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.999 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -119.66 -164.58 1.08 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.1 t -82.88 115.67 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.0 t -114.18 137.47 47.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.0 0.428 . . . . 0.0 112.054 -171.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.56 HD21 HD12 ' A' ' 102' ' ' LEU . 3.1 tm? -132.13 113.44 13.33 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 172.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.519 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 48.4 mt-10 -105.15 135.63 46.15 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.823 0.344 . . . . 0.0 111.562 -175.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.45 ' HB ' ' HD2' ' A' ' 84' ' ' PRO . 15.4 m -141.01 164.03 38.56 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.602 177.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.534 ' HG2' ' HB2' ' A' ' 87' ' ' ALA . 27.6 Cg_endo -64.5 155.36 66.81 Favored 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 122.288 1.992 . . . . 0.0 111.119 172.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.574 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 12.2 p -65.6 -24.86 35.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.925 0.393 . . . . 0.0 111.117 -176.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.8 m -73.77 -22.45 59.84 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.611 178.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.591 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -63.5 -56.0 30.24 Favored Pre-proline 0 CA--C 1.535 0.374 0 N-CA-C 113.067 0.765 . . . . 0.0 113.067 -172.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.611 ' HB3' HD11 ' A' ' 25' ' ' LEU . 11.2 Cg_exo -72.01 7.27 1.76 Allowed 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 122.3 2.0 . . . . 0.0 113.318 -175.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.417 HG12 ' HA ' ' A' ' 21' ' ' ALA . 71.8 mt -87.79 -51.74 12.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 175.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.406 ' HE2' ' HB3' ' A' ' 90' ' ' LYS . 53.1 mtpt -97.36 -30.53 12.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.829 179.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.487 ' O ' HG23 ' A' ' 95' ' ' VAL . 11.6 m-20 -121.34 34.33 5.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.876 -171.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.507 ' HA ' ' HA ' ' A' ' 88' ' ' PRO . . . -53.38 -45.9 69.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.814 -177.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.499 ' OE1' ' HE1' ' A' ' 32' ' ' MET . 36.2 mt-10 -67.27 -32.17 73.0 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.302 -176.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -70.67 -39.22 73.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.094 0.473 . . . . 0.0 109.973 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 91' ' ' ASP . 60.7 t -60.09 -42.26 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.263 176.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 92' ' ' ALA . 78.8 mt -61.01 -45.85 97.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.555 177.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -63.88 -33.38 75.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.173 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.97 -42.65 99.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.967 0.413 . . . . 0.0 110.28 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.65 -39.14 80.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.61 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.11 -34.94 79.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.911 177.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.98 -23.38 67.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.411 -179.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.56 HD12 HD21 ' A' ' 81' ' ' LEU . 79.8 mt -77.88 -45.16 25.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.88 0.371 . . . . 0.0 110.948 -178.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 27.6 pt -93.14 -39.63 11.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -175.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 C--N 1.323 -0.57 0 CA-C-O 120.588 0.232 . . . . 0.0 111.229 -172.121 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.481 ' HD3' ' O ' ' A' ' 33' ' ' GLY . 47.3 mmtm . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.033 0.444 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.505 ' HE ' ' HG3' ' A' ' 59' ' ' GLU . 3.6 tpt180 -87.58 138.37 31.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.415 -176.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -84.34 128.22 34.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.68 -179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 66.6 mt -139.37 137.68 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 121.151 -0.22 . . . . 0.0 110.621 -178.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.523 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -113.43 132.52 62.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 171.121 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.451 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -140.56 132.9 28.32 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.683 -176.115 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.7 t -110.16 114.83 48.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.016 0.436 . . . . 0.0 110.485 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.529 HG22 ' HB2' ' A' ' 64' ' ' ALA . 17.6 p -97.13 108.9 21.73 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.283 173.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.627 ' HA ' ' O ' ' A' ' 41' ' ' GLN . . . -127.25 103.03 7.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.861 0.362 . . . . 0.0 111.864 -173.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.635 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 42.8 t -124.56 131.27 53.49 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 176.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.24 -31.12 7.69 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.932 0.396 . . . . 0.0 110.745 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.0 m -71.72 -54.95 8.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.814 -178.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -114.32 93.94 0.66 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.942 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 m -61.8 -20.91 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -176.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.69 -27.47 64.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.069 0.461 . . . . 0.0 110.358 176.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -75.36 -34.73 61.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.62 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.434 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 2.6 m -55.68 -53.93 50.44 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.422 0.451 . . . . 0.0 111.23 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -75.68 -32.64 60.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.331 -175.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 51.2 ttm -70.54 -43.16 70.14 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.775 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.17 -44.72 95.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.694 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.466 ' O ' ' HG3' ' A' ' 26' ' ' LYS . . . -57.72 -49.14 77.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.329 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -69.83 -38.75 76.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.446 -177.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.46 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . . . -66.81 -39.96 87.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.19 0.519 . . . . 0.0 110.398 177.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.7 tp -62.99 -45.36 92.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.248 175.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 97.4 mttt -58.49 -42.45 87.6 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.568 175.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -61.63 -42.11 98.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.635 -177.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.69 -39.72 54.96 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.262 178.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.413 ' HA ' ' CD1' ' A' ' 96' ' ' ILE . . . -66.33 -41.98 88.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.902 0.382 . . . . 0.0 110.903 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.502 ' HA ' ' HE3' ' A' ' 30' ' ' LYS . 1.6 tpmt? -69.23 -29.11 66.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.28 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -61.55 -34.17 75.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.996 175.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 85.5 mmm -85.49 -6.03 59.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.547 178.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.481 ' O ' ' HD3' ' A' ' 2' ' ' LYS . . . 80.02 17.07 75.46 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.577 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -75.39 167.31 22.14 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.431 0.634 . . . . 0.0 111.514 -175.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 98.2 mt -117.0 92.74 3.94 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.528 173.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 15.8 tt -111.58 144.52 19.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.065 -171.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -116.57 103.37 10.33 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.451 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 35.4 t -93.85 117.53 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.07 -176.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.658 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 42.3 tt0 -94.52 148.99 21.69 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.09 -177.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.473 ' OG1' ' HB2' ' A' ' 47' ' ' GLU . 3.7 p -120.78 110.27 16.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.073 0.464 . . . . 0.0 111.597 -177.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.627 ' O ' ' HA ' ' A' ' 10' ' ' ALA . 41.8 tt0 -115.87 148.16 40.27 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 175.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -148.7 -75.1 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.356 -0.926 . . . . 0.0 111.949 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.411 ' C ' ' H ' ' A' ' 45' ' ' GLY . . . -106.63 79.18 1.33 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.616 0.246 . . . . 0.0 110.793 -179.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.8 m 71.15 -37.57 0.4 Allowed 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 178.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.411 ' H ' ' C ' ' A' ' 43' ' ' ALA . . . -96.77 172.8 28.84 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.704 -171.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 35.0 mm -120.13 127.12 75.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.473 ' HB2' ' OG1' ' A' ' 40' ' ' THR . 48.8 mt-10 -85.58 -71.49 0.53 Allowed 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.276 179.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -81.66 71.07 8.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.467 0.651 . . . . 0.0 109.306 177.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -56.88 120.26 7.62 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.247 -1.342 . . . . 0.0 112.413 -176.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.658 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 79.6 mt -85.51 151.28 24.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.686 173.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 77.3 p -110.1 169.79 8.5 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 177.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -59.97 -30.39 69.08 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -177.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.535 ' O ' HG12 ' A' ' 57' ' ' ILE . 39.0 ttpt -58.43 -51.47 69.69 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 175.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -58.39 -46.7 85.85 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.152 0.501 . . . . 0.0 110.406 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.9 t -59.94 -38.17 75.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.521 -178.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -88.07 -10.94 48.6 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -177.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.535 HG12 ' O ' ' A' ' 53' ' ' LYS . 35.0 mm -89.99 -47.14 14.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 174.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.401 ' HA3' HG23 ' A' ' 6' ' ' ILE . . . -61.13 134.02 48.8 Favored Glycine 0 CA--C 1.519 0.312 0 CA-C-N 116.012 -0.54 . . . . 0.0 113.037 -179.143 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.505 ' HG3' ' HE ' ' A' ' 3' ' ' ARG . 6.4 mm-40 -73.8 -70.5 0.38 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.346 0.593 . . . . 0.0 110.54 -177.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.629 ' HA ' HG11 ' A' ' 79' ' ' VAL . 19.6 m -99.7 151.45 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.978 -174.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.499 HG23 HD12 ' A' ' 6' ' ' ILE . 32.4 t -110.4 116.31 52.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.622 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.9 mt -103.61 126.3 58.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.429 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.612 ' HB2' ' HG2' ' A' ' 82' ' ' GLU . 42.8 m-85 -112.77 102.86 10.87 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.821 0.343 . . . . 0.0 110.956 176.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.529 ' HB2' HG22 ' A' ' 9' ' ' THR . . . -100.76 91.63 4.71 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 172.153 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.6 HG13 ' HB1' ' A' ' 10' ' ' ALA . 23.9 m -128.25 154.8 39.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.882 0.848 . . . . 0.0 113.153 -168.118 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.635 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 0.9 OUTLIER -111.94 -24.29 10.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 113.963 -1.471 . . . . 0.0 108.848 173.9 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.6 t -128.22 -168.79 1.96 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.004 -0.998 . . . . 0.0 108.729 176.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -85.64 167.18 15.57 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.706 0.288 . . . . 0.0 110.32 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.42 ' CG2' ' HB2' ' A' ' 72' ' ' LYS . 15.5 m -123.99 157.04 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.32 178.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -94.6 -35.48 12.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.423 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.515 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 85.7 m-20 -76.58 -5.86 49.5 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 -171.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.483 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 41.3 ttmt -57.03 -24.88 56.94 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.288 0.566 . . . . 0.0 109.62 178.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -42.37 -51.62 4.84 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.788 -1.096 . . . . 0.0 112.095 174.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.515 ' HG2' ' O ' ' A' ' 71' ' ' ASN . 13.1 ptp180 -83.02 -26.9 30.77 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -177.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.556 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 29.0 m-85 -76.79 -8.61 57.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.513 0.197 . . . . 0.0 111.285 177.29 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.28 -40.86 95.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.867 -176.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -82.39 16.43 24.1 Favored Glycine 0 C--O 1.23 -0.152 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.156 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.556 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 26.1 mtpp -124.88 -173.67 2.85 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -178.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.629 HG11 ' HA ' ' A' ' 60' ' ' VAL . 3.9 p -90.64 127.46 43.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.816 0.341 . . . . 0.0 110.484 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.8 t -119.87 135.6 59.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.79 -171.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -133.53 117.02 16.64 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 173.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.612 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 45.9 mt-10 -107.43 138.7 43.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.1 0.476 . . . . 0.0 111.973 -176.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.516 ' HB ' ' HD2' ' A' ' 84' ' ' PRO . 17.3 m -141.86 165.46 27.83 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.49 175.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.783 ' HG2' ' HB3' ' A' ' 87' ' ' ALA . 28.3 Cg_endo -64.78 147.98 89.88 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 121.813 1.675 . . . . 0.0 111.024 172.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.404 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 14.5 p -60.4 -32.86 52.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.951 0.405 . . . . 0.0 111.729 -175.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.3 m -74.29 -18.74 60.67 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -178.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.783 ' HB3' ' HG2' ' A' ' 84' ' ' PRO . . . -62.67 -55.85 34.97 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -173.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.628 ' HD3' ' HB1' ' A' ' 87' ' ' ALA . 29.3 Cg_exo -63.22 -8.99 15.75 Favored 'Trans proline' 0 C--N 1.358 1.059 0 C-N-CA 122.649 2.233 . . . . 0.0 113.586 -174.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.46 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 61.6 mt -64.68 -42.43 95.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.068 0.461 . . . . 0.0 109.875 176.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -98.95 -50.81 4.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.554 175.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.633 ' HB3' ' HB3' ' A' ' 94' ' ' LYS . 2.8 m-20 -88.04 38.74 0.86 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.328 -173.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.1 -52.28 59.12 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -171.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.431 ' HA ' HD11 ' A' ' 96' ' ' ILE . 2.4 mp0 -77.54 -23.22 50.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.043 0.449 . . . . 0.0 110.463 -177.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.633 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 66.4 tttm -73.07 -39.42 65.88 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.76 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.587 HG21 ' O ' ' A' ' 91' ' ' ASP . 87.5 t -60.21 -38.95 79.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.302 175.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.431 HD11 ' HA ' ' A' ' 93' ' ' GLU . 76.1 mt -61.34 -49.18 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.318 175.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -61.27 -36.29 79.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.991 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.69 -41.44 95.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.59 79.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.802 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.412 HD23 ' O ' ' A' ' 96' ' ' ILE . 4.4 mm? -62.94 -28.36 70.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.07 0.462 . . . . 0.0 110.92 177.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.56 -17.2 64.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.83 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -83.95 -9.05 58.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.597 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.423 HG22 HG21 ' A' ' 79' ' ' VAL . 24.5 pt -122.75 -33.21 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.761 178.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 CA--C 1.518 -0.265 0 CA-C-N 116.765 -0.198 . . . . 0.0 111.487 -178.637 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 34.6 mtmm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.854 0.359 . . . . 0.0 111.893 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.436 ' HE ' ' CD ' ' A' ' 59' ' ' GLU . 1.7 tpt180 -103.71 167.2 9.94 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.288 -0.414 . . . . 0.0 109.945 175.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.527 ' CB ' ' HA2' ' A' ' 58' ' ' GLY . 65.5 mmtt -99.72 111.14 23.49 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 57.1 mt -120.94 128.24 76.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.777 0.322 . . . . 0.0 111.273 -178.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.575 HD11 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -112.01 132.75 59.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 171.421 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.603 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -137.82 147.1 44.27 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.902 0.382 . . . . 0.0 111.392 -174.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.428 HG11 HG11 ' A' ' 69' ' ' VAL . 57.3 t -121.98 124.71 71.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.464 177.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.3 p -109.54 128.28 55.08 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.043 176.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.65 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . . . -151.11 149.58 29.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.151 -176.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.945 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 18.6 t -158.32 144.48 17.17 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 176.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.538 ' HB3' ' HB ' ' A' ' 67' ' ' THR . . . -102.59 -44.34 5.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.74 0.305 . . . . 0.0 111.217 -177.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.9 m -91.63 -61.81 1.56 Allowed 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.143 -178.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.58 68.11 3.53 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.835 -0.697 . . . . 0.0 111.899 178.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.464 HG11 ' HE2' ' A' ' 19' ' ' TYR . 45.2 t -50.26 -37.27 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -173.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.65 -24.74 66.92 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -177.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -66.88 -34.6 78.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.33 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.3 m -57.37 -48.09 79.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.231 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.464 ' HE2' HG11 ' A' ' 15' ' ' VAL . 69.0 m-85 -80.86 -21.07 41.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.017 -172.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.1 tpt -80.82 -48.71 12.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.709 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.77 -36.72 79.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.577 -176.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.88 -46.24 82.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.325 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.476 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 10.9 mm-40 -80.41 -32.55 37.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.354 -178.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.14 -43.61 97.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.963 0.411 . . . . 0.0 110.199 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.6 mt -60.34 -38.86 85.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.802 175.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.443 ' HE3' HG23 ' A' ' 38' ' ' VAL . 15.1 mttp -62.07 -49.17 77.02 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.937 177.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -59.57 -43.34 93.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.596 -178.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.64 -41.73 95.83 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.234 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.3 -42.91 96.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.888 0.375 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.407 ' HD3' ' O ' ' A' ' 26' ' ' LYS . 5.4 mptp? -69.95 -29.79 67.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.066 178.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -64.23 -43.47 94.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.056 0.455 . . . . 0.0 110.24 176.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.638 ' HE2' ' HA ' ' A' ' 32' ' ' MET . 16.3 mmt -72.79 -34.88 67.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.705 177.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.425 ' O ' ' HA ' ' A' ' 2' ' ' LYS . . . 103.88 55.47 0.78 Allowed Glycine 0 C--O 1.225 -0.424 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.107 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -132.99 170.41 15.4 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.137 0.494 . . . . 0.0 111.454 -176.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -106.57 124.52 49.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.051 175.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.413 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 17.1 tt -128.53 136.59 59.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.345 0.593 . . . . 0.0 111.397 -175.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -116.04 106.03 13.3 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.876 175.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.603 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 16.9 m -102.07 143.49 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 CA-C-O 121.249 0.547 . . . . 0.0 111.439 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.615 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 36.1 tt0 -111.72 131.7 55.12 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.389 174.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.434 ' OG1' ' HB2' ' A' ' 47' ' ' GLU . 38.6 p -98.25 104.16 16.17 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 121.371 0.605 . . . . 0.0 110.329 177.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.65 ' HB3' ' HB2' ' A' ' 10' ' ' ALA . 7.3 tp-100 -89.92 85.13 6.28 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 176.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.14 58.1 4.61 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.051 -175.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 62.63 85.41 0.13 Allowed 'General case' 0 C--O 1.235 0.317 0 C-N-CA 122.936 0.494 . . . . 0.0 110.784 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.7 m 75.79 -36.15 0.28 Allowed 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.009 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.27 113.17 4.26 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.39 -176.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.569 HG12 HE22 ' A' ' 41' ' ' GLN . 16.4 mt -90.34 130.37 39.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -178.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.434 ' HB2' ' OG1' ' A' ' 40' ' ' THR . 50.0 mt-10 -102.69 -47.0 4.56 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.425 -0.51 . . . . 0.0 111.485 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.588 ' HB2' ' HA ' ' A' ' 39' ' ' GLU . 14.3 m120 -81.05 -61.02 2.08 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 121.084 -0.247 . . . . 0.0 111.001 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.554 ' H ' ' HG3' ' A' ' 39' ' ' GLU . 53.6 tt0 66.55 99.32 0.05 OUTLIER 'General case' 0 C--O 1.233 0.186 0 O-C-N 123.803 0.69 . . . . 0.0 110.585 -177.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.615 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 87.0 mt -82.86 132.19 35.17 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.46 177.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.471 ' O ' HG23 ' A' ' 55' ' ' VAL . 38.1 p -91.55 157.78 16.82 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.933 -173.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -49.42 -45.14 45.96 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.984 0.421 . . . . 0.0 110.458 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.41 ' O ' HG12 ' A' ' 57' ' ' ILE . 89.0 tttt -64.24 -45.03 89.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.019 -178.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -69.97 -39.32 76.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.581 -176.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.678 HG22 ' HG3' ' A' ' 74' ' ' ARG . 81.8 t -64.3 -37.56 80.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.956 177.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.84 -21.54 64.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.286 -179.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 53' ' ' LYS . 48.9 mm -70.78 -45.48 73.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 175.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.527 ' HA2' ' CB ' ' A' ' 4' ' ' LYS . . . -65.71 154.26 50.92 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.333 177.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.436 ' CD ' ' HE ' ' A' ' 3' ' ' ARG . 33.7 mt-10 -108.75 -53.62 2.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.636 0.255 . . . . 0.0 110.975 -177.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.451 ' HA ' HG12 ' A' ' 79' ' ' VAL . 22.8 m -102.57 141.08 19.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.813 0.339 . . . . 0.0 110.659 178.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.527 HG21 HD13 ' A' ' 6' ' ' ILE . 21.6 t -110.82 128.79 66.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.7 -177.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 65.8 mt -110.8 127.62 67.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.132 177.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -119.57 112.19 19.02 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.949 0.404 . . . . 0.0 110.959 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.619 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -113.69 90.84 3.45 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 171.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.491 HG11 ' HB3' ' A' ' 10' ' ' ALA . 24.1 m -131.66 138.69 52.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.672 0.748 . . . . 0.0 112.622 -168.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.945 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 16.0 t70 -114.27 -1.87 13.48 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.416 -1.266 . . . . 0.0 109.212 173.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.538 ' HB ' ' HB3' ' A' ' 12' ' ' ALA . 11.3 t -143.9 174.24 11.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.52 -178.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.428 ' HE2' ' HB3' ' A' ' 68' ' ' LYS . 35.4 ttpt -70.97 141.25 51.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.325 -177.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.588 ' HB ' ' HB2' ' A' ' 72' ' ' LYS . 46.2 t -114.86 126.18 72.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.021 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -82.16 -35.51 28.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.785 -175.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.452 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 92.9 m-20 -82.16 -7.22 59.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.709 0.29 . . . . 0.0 111.069 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.588 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 44.1 tttm -50.2 -28.26 7.24 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.144 -178.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -51.33 -34.93 35.77 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -175.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.678 ' HG3' HG22 ' A' ' 55' ' ' VAL . 12.7 ptp180 -83.55 -7.19 59.57 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -174.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.46 ' HD2' ' HA ' ' A' ' 72' ' ' LYS . 33.3 m-85 -96.53 -1.36 47.29 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.188 0.518 . . . . 0.0 109.788 174.294 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.0 140.19 35.33 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.946 179.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.96 23.3 45.96 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -171.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.629 ' HE3' ' O ' ' A' ' 74' ' ' ARG . 5.8 mtmm -139.03 -158.37 0.85 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.886 -0.657 . . . . 0.0 109.662 -179.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.451 HG12 ' HA ' ' A' ' 60' ' ' VAL . 4.8 p -110.19 107.24 22.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.35 0.595 . . . . 0.0 110.737 -177.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.5 t -107.3 115.17 48.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.578 -175.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.61 HD21 HD13 ' A' ' 102' ' ' LEU . 3.2 tm? -98.87 102.04 13.64 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 172.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -104.9 123.62 48.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.425 -171.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.0 m -134.66 163.76 48.87 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.049 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -59.06 143.79 99.64 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.255 1.97 . . . . 0.0 111.329 173.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.619 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 14.3 p -64.85 -23.53 33.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.992 0.425 . . . . 0.0 111.768 -175.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.8 m -73.96 -20.04 60.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.457 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.404 ' N ' ' HD2' ' A' ' 88' ' ' PRO . . . -70.17 -54.52 9.32 Favored Pre-proline 0 CA--C 1.538 0.499 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -174.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.416 ' HG3' ' CB ' ' A' ' 64' ' ' ALA . 57.4 Cg_endo -69.01 3.68 2.28 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 122.58 2.187 . . . . 0.0 113.75 -175.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 52.2 mt -81.32 -38.96 16.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.371 0.605 . . . . 0.0 109.385 174.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -97.2 -52.09 3.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.119 176.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.566 ' O ' HG21 ' A' ' 95' ' ' VAL . 7.2 m-20 -93.46 37.37 1.05 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.105 -173.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.73 -53.29 54.21 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -172.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -68.69 -29.33 67.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.583 0.706 . . . . 0.0 110.357 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.473 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 64.0 tttt -72.88 -35.87 67.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.271 -177.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.566 HG21 ' O ' ' A' ' 91' ' ' ASP . 95.7 t -65.73 -41.81 91.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.463 175.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.455 ' O ' HD22 ' A' ' 100' ' ' LEU . 80.3 mt -62.79 -48.64 87.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.578 177.256 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -62.82 -26.56 68.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 178.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.15 -37.99 89.16 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.705 0.288 . . . . 0.0 110.649 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.09 84.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.266 0.555 . . . . 0.0 109.913 176.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.455 HD22 ' O ' ' A' ' 96' ' ' ILE . 4.3 mm? -66.33 -30.68 71.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.854 177.198 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.2 -17.56 64.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.315 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.61 HD13 HD21 ' A' ' 81' ' ' LEU . 90.0 mt -79.58 -36.59 37.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.984 179.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 25.5 pt -96.9 -46.91 12.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -175.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 . . . . . 0 C--N 1.326 -0.438 0 CA-C-O 120.677 0.275 . . . . 0.0 111.273 -177.527 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.9 tpp180 -65.66 125.45 25.3 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.77 ' HE2' HD11 ' A' ' 35' ' ' LEU . 34.0 mmtp -89.36 117.8 28.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.299 -179.097 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.571 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 56.2 mt -128.9 135.52 61.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 120.889 0.376 . . . . 0.0 110.871 -178.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.768 HD13 HG21 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -114.78 138.02 46.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 171.47 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.431 ' HA ' ' O ' ' A' ' 62' ' ' ILE . . . -132.89 133.26 43.04 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.095 -174.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.2 t -109.82 130.71 62.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 64' ' ' ALA . 14.8 p -114.2 130.03 56.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.042 -179.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.451 ' HB2' HG11 ' A' ' 65' ' ' VAL . . . -147.2 158.02 43.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.577 -179.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.606 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 49.0 t -176.22 -34.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.94 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 70.15 -69.16 0.18 Allowed 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.835 0.71 . . . . 0.0 111.667 177.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.8 m -70.5 -48.36 56.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.861 0.362 . . . . 0.0 110.716 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.4 73.92 2.58 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.728 -0.748 . . . . 0.0 111.685 177.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.1 t -59.6 -49.39 83.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 122.404 0.281 . . . . 0.0 111.464 -176.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.77 -36.0 82.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.139 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -64.14 -34.15 77.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.523 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 29.2 m -64.09 -48.84 74.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.614 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -67.07 -38.87 86.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.614 178.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 50.4 tpp -58.86 -53.55 57.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.921 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.09 91.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.049 -178.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.67 -49.03 79.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.257 0.551 . . . . 0.0 110.94 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -72.38 -30.14 64.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.319 -178.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.94 -40.93 62.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.625 0.25 . . . . 0.0 110.867 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.484 HD22 ' HB3' ' A' ' 88' ' ' PRO . 60.6 mt -60.4 -47.09 87.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.769 175.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.61 ' HA ' HG23 ' A' ' 36' ' ' ILE . 40.7 ttmt -61.97 -42.86 99.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.183 177.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -55.68 -50.34 70.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.0 177.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.82 -35.95 73.7 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.005 -0.617 . . . . 0.0 112.678 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.6 -48.45 77.32 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.589 0.233 . . . . 0.0 111.155 -178.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -69.83 -25.81 63.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.756 0.313 . . . . 0.0 110.513 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -68.45 -45.37 72.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.13 176.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 91.4 mmm -75.96 -18.45 59.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.437 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.25 41.87 4.15 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.712 177.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -123.23 179.18 4.79 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.77 HD11 ' HE2' ' A' ' 4' ' ' LYS . 94.5 mt -121.04 125.02 46.25 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 179.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.61 HG23 ' HA ' ' A' ' 26' ' ' LYS . 14.3 tt -129.89 138.36 54.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.193 0.52 . . . . 0.0 111.89 -174.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -116.53 108.57 16.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.224 172.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.0 p -100.97 137.63 27.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.293 0.568 . . . . 0.0 111.82 -174.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.776 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 39.1 tt0 -111.53 142.87 43.26 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.173 176.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.621 ' HB ' ' HB2' ' A' ' 47' ' ' GLU . 34.4 m -111.67 109.95 20.08 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 177.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.744 HE21 HG23 ' A' ' 46' ' ' ILE . 16.9 tt0 -134.85 102.09 5.13 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -174.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.74 -50.75 62.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.619 -0.801 . . . . 0.0 111.877 -177.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 179.38 -46.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 177.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.1 m -117.73 -24.91 7.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.281 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.46 137.76 14.28 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.744 HG23 HE21 ' A' ' 41' ' ' GLN . 5.2 mm -119.89 116.18 49.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 -174.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.621 ' HB2' ' HB ' ' A' ' 40' ' ' THR . 28.1 mt-10 -113.82 137.41 51.69 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 177.293 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 58.9 t30 72.93 -57.62 0.63 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.989 0.916 . . . . 0.0 110.204 -173.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 64.07 103.13 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.281 0.632 . . . . 0.0 111.538 176.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.776 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 83.0 mt -81.42 110.02 16.45 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.523 -179.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.417 ' O ' HG21 ' A' ' 55' ' ' VAL . 33.4 p -73.17 166.17 23.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.526 177.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -51.56 -32.4 28.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.687 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.582 ' O ' HG12 ' A' ' 57' ' ' ILE . 1.3 tmmt? -60.95 -57.72 11.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.196 178.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -66.25 -34.91 79.08 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.111 0.482 . . . . 0.0 110.923 -176.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.674 HG11 ' HG3' ' A' ' 74' ' ' ARG . 73.2 t -61.04 -37.44 77.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.248 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -93.41 7.25 45.23 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.926 0.394 . . . . 0.0 111.415 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.582 HG12 ' O ' ' A' ' 53' ' ' LYS . 36.7 mm -82.71 -49.71 16.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 169.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.511 ' HA2' ' HB3' ' A' ' 4' ' ' LYS . . . -68.59 144.07 41.54 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.965 177.444 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 8.6 pt-20 -99.61 -29.99 12.38 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.662 0.267 . . . . 0.0 110.775 -176.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.58 HG22 ' HB1' ' A' ' 99' ' ' ALA . 8.7 p -125.11 144.57 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 174.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.768 HG21 HD13 ' A' ' 6' ' ' ILE . 11.0 t -112.33 132.05 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.906 0.384 . . . . 0.0 111.062 -176.069 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.431 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 65.3 mt -112.93 127.95 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.052 176.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.43 ' CD1' HG12 ' A' ' 80' ' ' VAL . 58.7 m-85 -111.77 104.47 12.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.758 177.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.431 ' O ' ' HA ' ' A' ' 9' ' ' THR . . . -96.75 89.92 5.1 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 170.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.451 HG11 ' HB2' ' A' ' 10' ' ' ALA . 27.7 m -136.22 149.77 27.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.336 0.588 . . . . 0.0 111.679 -170.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.606 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 13.3 t70 -116.51 5.3 13.35 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.875 0.845 . . . . 0.0 108.756 173.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.8 t -155.91 -171.66 3.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.845 -1.071 . . . . 0.0 109.208 -178.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -86.63 167.74 14.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.922 0.391 . . . . 0.0 110.607 -178.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.522 ' CG2' ' HB2' ' A' ' 72' ' ' LYS . 23.2 m -136.87 170.54 18.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.915 176.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -94.28 -49.18 5.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.323 0.582 . . . . 0.0 110.912 -175.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.611 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 96.2 m-20 -74.32 -5.66 43.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.276 -171.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.522 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 26.8 ttpp -45.76 -32.05 2.32 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -58.95 -26.09 64.11 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -173.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.674 ' HG3' HG11 ' A' ' 55' ' ' VAL . 10.9 ptp180 -89.13 -16.07 32.33 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 122.008 -0.432 . . . . 0.0 111.484 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.619 ' HB3' HG13 ' A' ' 61' ' ' VAL . 51.5 m-85 -96.03 -18.78 19.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.202 0.525 . . . . 0.0 110.313 179.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.63 -47.64 83.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.935 -1.03 . . . . 0.0 112.713 -170.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -84.06 29.07 3.93 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.754 -0.736 . . . . 0.0 113.071 -175.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -121.97 -105.65 0.37 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.067 0.461 . . . . 0.0 109.87 177.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.592 HG22 HG21 ' A' ' 103' ' ' ILE . 38.5 t -138.72 115.24 10.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.43 HG12 ' CD1' ' A' ' 63' ' ' PHE . 57.7 t -109.99 104.74 17.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.082 0.467 . . . . 0.0 111.689 -173.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.41 HD23 HD12 ' A' ' 102' ' ' LEU . 2.5 tm? -100.12 101.12 12.09 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 172.08 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -104.24 124.12 48.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.152 -174.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.3 m -140.44 158.42 66.26 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.05 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.01 144.41 99.38 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.34 2.027 . . . . 0.0 111.344 175.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.416 HG11 ' HB2' ' A' ' 11' ' ' CYS . 8.7 p -63.71 -20.38 26.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-O 121.074 0.464 . . . . 0.0 111.555 -175.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.1 p -73.93 -27.78 61.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.186 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.517 ' HB1' ' HD3' ' A' ' 88' ' ' PRO . . . -68.03 -52.64 22.82 Favored Pre-proline 0 CA--C 1.539 0.53 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -172.513 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.517 ' HD3' ' HB1' ' A' ' 87' ' ' ALA . 16.6 Cg_exo -68.75 1.23 3.96 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 122.54 2.16 . . . . 0.0 113.459 -175.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 52.0 mt -70.02 -48.74 61.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.047 0.451 . . . . 0.0 110.08 177.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -96.35 -49.2 5.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.092 175.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.435 ' O ' HG22 ' A' ' 95' ' ' VAL . 73.2 m-20 -103.37 40.64 1.37 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.872 -169.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 88' ' ' PRO . . . -53.81 -37.18 63.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.064 0.459 . . . . 0.0 110.382 175.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -56.13 -45.69 79.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.704 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -73.1 -32.22 64.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.768 -178.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 91' ' ' ASP . 60.1 t -70.01 -41.36 79.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.05 0.452 . . . . 0.0 110.605 178.141 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.82 -48.43 88.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.328 178.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -71.19 -21.04 62.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.324 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.02 -40.26 82.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.839 0.352 . . . . 0.0 110.34 177.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.58 ' HB1' HG22 ' A' ' 60' ' ' VAL . . . -67.22 -44.62 79.05 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.317 178.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.68 -35.46 79.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.474 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.74 -17.53 63.12 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -178.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.41 HD12 HD23 ' A' ' 81' ' ' LEU . 71.0 mt -81.38 -44.37 17.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.931 0.395 . . . . 0.0 111.121 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.592 HG21 HG22 ' A' ' 79' ' ' VAL . 30.7 pt -101.95 -36.92 4.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -173.336 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.9 t70 . . . . . 0 C--N 1.322 -0.621 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -176.042 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm . . . . . 0 C--O 1.235 0.301 0 CA-C-O 121.25 0.547 . . . . 0.0 109.776 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.739 ' HG3' ' HG3' ' A' ' 59' ' ' GLU . 3.5 tpt180 -75.13 129.84 38.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.949 -176.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.435 ' HE3' HD11 ' A' ' 35' ' ' LEU . 38.5 mmtm -77.65 125.3 29.13 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 176.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 66.0 mt -131.4 133.38 62.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 120.73 0.3 . . . . 0.0 110.74 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.544 HD11 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -112.53 129.2 68.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 172.232 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.419 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -134.97 139.98 45.33 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -175.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.8 t -118.33 129.02 75.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.12 178.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.516 ' HA ' ' O ' ' A' ' 64' ' ' ALA . 11.0 p -116.47 118.56 33.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.7 178.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.555 ' HA ' ' O ' ' A' ' 41' ' ' GLN . . . -133.64 123.47 25.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.765 0.317 . . . . 0.0 111.684 -177.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.538 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 52.7 t -131.04 -9.79 3.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.619 175.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 56.28 -89.23 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.384 0.674 . . . . 0.0 112.25 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.0 p -89.04 95.22 10.23 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.033 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 140.91 69.12 0.03 OUTLIER Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -176.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.5 m -58.29 -30.12 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 122.285 0.234 . . . . 0.0 111.599 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.92 -35.48 78.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.014 0.435 . . . . 0.0 110.894 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -84.28 -31.19 25.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.821 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.538 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 24.4 m -70.91 -57.09 4.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.208 -177.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -67.5 -39.48 85.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.539 -176.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.848 ' HE2' HD12 ' A' ' 89' ' ' ILE . 37.7 ttp -64.96 -43.55 92.33 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.08 -178.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.39 96.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.918 0.39 . . . . 0.0 110.714 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.488 ' O ' ' HG3' ' A' ' 26' ' ' LYS . . . -62.99 -43.14 99.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.478 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.655 HE21 ' HA ' ' A' ' 20' ' ' MET . 29.7 pt20 -80.76 -31.31 35.93 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.299 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.34 -39.53 92.5 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 120.975 0.417 . . . . 0.0 110.24 178.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.498 ' HG ' ' HB2' ' A' ' 88' ' ' PRO . 3.0 mt -57.51 -43.6 84.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.617 172.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 63.4 mttp -60.55 -40.53 91.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.487 178.383 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.586 ' HG2' ' O ' ' A' ' 23' ' ' GLN . 75.7 mmtt -55.7 -55.8 27.95 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.811 179.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.79 -37.22 94.49 Favored Glycine 0 CA--C 1.519 0.301 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.704 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.2 -49.68 68.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.627 0.251 . . . . 0.0 111.362 -178.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 16.7 ptpt -69.57 -26.16 64.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.804 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.43 -43.02 95.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.198 0.523 . . . . 0.0 110.24 177.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 86.4 mtp -82.14 -14.22 56.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.263 177.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.8 35.97 12.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.137 -0.554 . . . . 0.0 113.144 174.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -104.51 172.79 6.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.701 0.286 . . . . 0.0 110.766 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.435 HD11 ' HE3' ' A' ' 4' ' ' LYS . 97.3 mt -112.09 110.75 21.21 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.436 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 15.1 tt -121.7 145.15 28.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.341 0.591 . . . . 0.0 111.968 -172.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -115.95 112.32 21.68 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.167 170.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 40.0 t -101.92 124.19 55.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.392 -177.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -95.71 123.66 39.38 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.606 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.777 ' HB ' ' HB3' ' A' ' 47' ' ' GLU . 18.0 m -86.78 107.12 18.13 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.578 ' OE1' HG12 ' A' ' 46' ' ' ILE . 54.2 tp60 -113.99 130.61 56.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.429 -176.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.12 -93.51 1.02 Allowed Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 172.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -125.03 -58.16 1.48 Allowed 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 173.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.3 m -126.9 6.25 6.62 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.743 0.782 . . . . 0.0 109.562 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.38 133.95 11.42 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.373 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.578 HG12 ' OE1' ' A' ' 41' ' ' GLN . 5.6 mt -116.61 141.66 33.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 -174.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.777 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 32.1 tt0 -92.17 -42.28 9.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.137 0.494 . . . . 0.0 110.746 177.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -98.9 -57.81 2.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.387 -173.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.84 86.54 0.13 Allowed 'General case' 0 C--O 1.235 0.324 0 O-C-N 124.083 0.864 . . . . 0.0 109.692 -176.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.411 HD22 ' HB ' ' A' ' 6' ' ' ILE . 6.3 mp -78.06 123.49 26.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.823 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.573 ' O ' HG22 ' A' ' 55' ' ' VAL . 67.6 p -88.49 163.57 15.86 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -173.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -55.23 -27.63 47.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.145 0.498 . . . . 0.0 109.833 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.519 ' O ' HG13 ' A' ' 57' ' ' ILE . 33.1 mmtp -61.44 -54.06 48.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.969 176.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -66.46 -43.47 85.43 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.562 0.696 . . . . 0.0 110.2 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.573 HG22 ' O ' ' A' ' 51' ' ' THR . 98.7 t -63.41 -32.25 55.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.518 -175.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.89 -15.72 57.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.55 0.214 . . . . 0.0 111.35 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 53' ' ' LYS . 81.5 mt -77.59 -46.12 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.758 0.313 . . . . 0.0 110.193 178.173 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.441 ' HA3' HD12 ' A' ' 6' ' ' ILE . . . -59.35 144.71 45.29 Favored Glycine 0 CA--C 1.519 0.34 0 CA-C-N 115.971 -0.558 . . . . 0.0 113.329 179.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.739 ' HG3' ' HG3' ' A' ' 3' ' ' ARG . 4.1 mm-40 -78.57 -54.79 5.76 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.182 0.515 . . . . 0.0 110.087 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.441 ' HA ' HG13 ' A' ' 79' ' ' VAL . 20.7 m -123.69 155.0 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.262 -179.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.468 HG23 HD13 ' A' ' 6' ' ' ILE . 25.0 t -110.43 122.34 64.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.861 0.362 . . . . 0.0 110.542 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 69.4 mt -104.54 110.68 31.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.976 177.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.462 ' HE2' HG11 ' A' ' 69' ' ' VAL . 0.8 OUTLIER -103.16 96.52 6.84 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.825 -179.396 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.587 ' HA ' ' O ' ' A' ' 83' ' ' VAL . . . -96.49 89.7 5.12 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 173.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.96 139.12 41.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.005 -172.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.65 -4.51 10.27 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.135 175.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.9 p -131.29 -160.74 1.07 Allowed 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.625 -177.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -75.62 143.71 42.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.785 -176.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.462 HG11 ' HE2' ' A' ' 63' ' ' PHE . 2.7 p -142.84 119.7 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.011 176.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -89.71 -25.24 21.29 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.741 -174.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -80.98 -6.51 58.85 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.054 -175.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -55.52 -23.75 28.06 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.477 0.656 . . . . 0.0 109.51 177.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.529 ' HB3' HH21 ' A' ' 74' ' ' ARG . 10.4 tp10 -41.13 -39.12 1.2 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 114.2 -1.364 . . . . 0.0 111.664 171.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.529 HH21 ' HB3' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -69.75 -55.31 10.23 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.019 0.438 . . . . 0.0 111.315 -179.031 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -79.94 3.58 19.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.914 -170.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -60.51 -39.54 88.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.911 0.386 . . . . 0.0 111.308 -170.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -95.48 14.74 64.51 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.627 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -110.36 -179.92 3.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.623 -0.339 . . . . 0.0 110.657 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.441 HG13 ' HA ' ' A' ' 60' ' ' VAL . 3.4 p -83.89 100.81 7.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.58 0.705 . . . . 0.0 110.35 -177.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 84.3 t -112.51 128.28 69.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.799 -173.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.8 tp -102.52 117.76 35.4 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 168.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -96.92 102.11 13.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.53 0.681 . . . . 0.0 110.36 -177.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.587 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -111.92 145.19 32.21 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.484 -177.157 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -57.11 143.63 92.49 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.749 2.3 . . . . 0.0 111.79 175.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 8.3 p -62.03 -22.01 27.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.635 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -171.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.2 m -74.68 -28.73 60.95 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.454 ' N ' ' HD2' ' A' ' 88' ' ' PRO . . . -60.58 -51.61 78.62 Favored Pre-proline 0 CA--C 1.542 0.64 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -170.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.498 ' HB2' ' HG ' ' A' ' 25' ' ' LEU . 37.1 Cg_endo -64.14 -5.86 10.29 Favored 'Trans proline' 0 C--N 1.356 0.957 0 C-N-CA 122.402 2.068 . . . . 0.0 113.76 -174.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.848 HD12 ' HE2' ' A' ' 20' ' ' MET . 59.0 mt -82.33 -37.93 14.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.803 0.335 . . . . 0.0 110.409 179.075 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -96.07 -38.62 10.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.935 0.398 . . . . 0.0 111.417 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.781 ' HB3' ' HB3' ' A' ' 94' ' ' LYS . 30.4 m-20 -123.07 43.01 3.05 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.746 -170.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.726 ' O ' HG13 ' A' ' 95' ' ' VAL . . . -54.19 -47.12 72.43 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -64.83 -33.01 74.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.392 0.615 . . . . 0.0 110.183 178.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.781 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 38.0 ttmt -74.43 -39.1 62.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.207 -176.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.726 HG13 ' O ' ' A' ' 92' ' ' ALA . 3.6 p -66.07 -35.74 75.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.082 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.478 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 72.1 mt -62.5 -49.18 84.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.107 -0.952 . . . . 0.0 110.25 174.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -63.06 -34.57 77.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.065 178.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.44 96.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.821 178.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.88 -33.22 75.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.04 0.447 . . . . 0.0 110.563 177.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 92.9 mt -66.04 -29.12 69.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.967 177.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.22 -22.9 66.32 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -178.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.54 -39.34 88.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.685 -178.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 104' ' ' ASP . 28.2 pt -115.93 -45.51 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -177.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.404 ' N ' HG13 ' A' ' 103' ' ' ILE . 2.0 m-20 . . . . . 0 C--N 1.325 -0.485 0 CA-C-O 120.824 0.345 . . . . 0.0 110.295 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.4 mttt . . . . . 0 C--O 1.234 0.288 0 CA-C-O 120.962 0.41 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 -77.68 122.7 25.7 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 176.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.859 ' HD2' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -85.43 116.23 23.62 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.656 179.062 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.613 HG23 HG23 ' A' ' 60' ' ' VAL . 42.9 mt -126.26 132.83 70.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.141 -171.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.693 HG13 ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -106.6 125.29 62.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 171.562 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -131.21 127.84 38.73 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.812 -175.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.3 t -110.72 122.07 64.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.151 0.5 . . . . 0.0 110.588 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.4 p -104.89 121.13 43.05 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.514 175.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.429 ' HB1' HG11 ' A' ' 65' ' ' VAL . . . -153.54 99.64 2.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.551 0.215 . . . . 0.0 111.124 -177.049 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.704 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 48.7 t -116.69 143.07 46.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.679 0.276 . . . . 0.0 110.7 -178.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.489 ' HB2' ' HB ' ' A' ' 67' ' ' THR . . . -102.25 -14.19 17.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.175 0.512 . . . . 0.0 110.205 177.406 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.2 m -68.28 -58.79 3.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.299 178.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.76 125.22 2.78 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.899 -178.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.3 t -65.19 -42.09 93.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.857 0.361 . . . . 0.0 111.2 -177.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.75 -31.43 72.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.067 0.46 . . . . 0.0 110.924 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.6 m170 -69.78 -40.84 75.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.882 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.649 HG21 HG22 ' A' ' 40' ' ' THR . 25.7 m -56.48 -49.74 73.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.894 177.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.423 ' O ' ' HG3' ' A' ' 23' ' ' GLN . 38.7 t80 -73.77 -42.22 61.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.468 -173.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.573 ' HE1' HD12 ' A' ' 89' ' ' ILE . 40.8 ttp -66.36 -29.32 69.47 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 121.191 -0.203 . . . . 0.0 111.088 -177.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.522 ' HA ' HG12 ' A' ' 89' ' ' ILE . . . -60.57 -44.35 96.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.729 0.299 . . . . 0.0 110.347 177.089 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.6 -39.35 93.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.994 179.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 19' ' ' TYR . 47.2 mt-30 -65.66 -48.82 70.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.134 -178.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.11 -40.06 82.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.969 0.414 . . . . 0.0 110.684 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.518 ' HA ' ' HB2' ' A' ' 92' ' ' ALA . 45.6 tp -61.1 -43.04 99.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.452 177.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -59.65 -45.33 92.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.265 176.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -56.39 -44.86 80.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.747 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.95 -40.72 95.46 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.669 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.79 -41.17 79.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.797 0.332 . . . . 0.0 110.852 -178.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -63.62 -38.99 93.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.312 176.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -63.66 -31.01 72.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.272 -0.877 . . . . 0.0 111.052 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 22.9 mmt -90.7 -17.76 26.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.989 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.54 34.46 11.8 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.1 -0.572 . . . . 0.0 112.942 177.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -98.71 -178.19 3.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.945 0.402 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.48 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 90.7 mt -117.31 97.57 5.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.549 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.7 tt -109.73 139.47 32.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.217 0.532 . . . . 0.0 111.224 -175.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.586 ' HG3' HD22 ' A' ' 50' ' ' LEU . 21.8 tptm -122.55 100.81 7.12 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 173.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.9 p -101.34 143.52 14.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.661 -173.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.72 ' HG3' ' H ' ' A' ' 49' ' ' GLU . 30.2 tt0 -120.4 126.77 51.29 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.654 177.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.649 HG22 HG21 ' A' ' 18' ' ' THR . 90.9 m -99.92 114.62 27.98 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 171.626 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.606 ' HG3' HG12 ' A' ' 46' ' ' ILE . 8.4 tt0 -117.87 98.74 6.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.276 0.56 . . . . 0.0 110.225 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.73 60.5 4.66 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.707 -0.758 . . . . 0.0 111.889 -178.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 59.54 88.65 0.07 Allowed 'General case' 0 C--O 1.234 0.242 0 C-N-CA 122.978 0.511 . . . . 0.0 110.796 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.3 m 77.06 -39.78 0.34 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.69 -178.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -77.88 96.95 1.34 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.603 178.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.606 HG12 ' HG3' ' A' ' 41' ' ' GLN . 39.5 mt -95.09 127.03 47.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 120.706 0.288 . . . . 0.0 110.714 -176.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -82.5 -42.71 18.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.427 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.459 ' HB2' ' HA ' ' A' ' 39' ' ' GLU . 8.9 m120 -108.95 -60.58 1.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.062 -172.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.72 ' H ' ' HG3' ' A' ' 39' ' ' GLU . 34.4 tt0 76.05 111.46 0.07 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.991 0.917 . . . . 0.0 111.22 -177.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.623 HD12 ' HB ' ' A' ' 6' ' ' ILE . 38.7 mt -86.2 116.47 24.41 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.867 176.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.506 ' O ' HG23 ' A' ' 55' ' ' VAL . 72.9 p -81.41 166.6 20.25 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 -179.196 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -55.02 -33.62 62.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.34 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.425 ' O ' HG12 ' A' ' 57' ' ' ILE . 88.6 mttt -66.47 -43.96 84.03 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.673 178.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -58.12 -43.42 87.19 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.391 0.615 . . . . 0.0 109.787 176.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.545 HG11 ' HG3' ' A' ' 74' ' ' ARG . 70.1 t -64.74 -37.03 79.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.597 -1.183 . . . . 0.0 112.117 -177.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -80.49 -19.02 46.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.348 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 53' ' ' LYS . 44.3 mm -84.6 -57.42 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.517 ' HA3' HG22 ' A' ' 6' ' ' ILE . . . -57.99 128.92 48.72 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.449 176.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.423 ' HG3' ' HG2' ' A' ' 4' ' ' LYS . 43.4 mt-10 -85.81 -60.02 2.14 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.843 0.354 . . . . 0.0 110.674 -175.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.635 ' HA ' HG13 ' A' ' 79' ' ' VAL . 20.2 m -93.96 141.08 15.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.615 -177.121 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.639 HG21 HD13 ' A' ' 6' ' ' ILE . 17.9 t -109.56 113.65 44.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.335 -177.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 63.7 mt -93.7 113.29 28.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.989 0.423 . . . . 0.0 110.014 177.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.426 ' HD1' ' HA ' ' A' ' 63' ' ' PHE . 2.1 m-85 -105.53 102.53 11.98 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.126 0.489 . . . . 0.0 111.038 179.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.626 ' HB3' ' HA ' ' A' ' 85' ' ' VAL . . . -108.26 90.03 3.17 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 171.345 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.429 HG11 ' HB1' ' A' ' 10' ' ' ALA . 18.2 m -137.7 161.59 33.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.712 0.768 . . . . 0.0 112.349 -169.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.704 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 17.7 t70 -137.24 -2.69 2.01 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.131 -1.395 . . . . 0.0 108.978 178.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.489 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 5.9 t -141.82 -171.51 3.36 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.85 -176.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm -72.84 156.66 38.66 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.204 0.526 . . . . 0.0 111.549 -177.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.789 ' HB ' ' HB2' ' A' ' 72' ' ' LYS . 56.1 t -129.07 121.33 53.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.361 173.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -74.79 -34.88 62.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.691 0.282 . . . . 0.0 111.43 -176.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.505 HD22 ' HG3' ' A' ' 49' ' ' GLU . 87.0 m-20 -82.39 -7.14 59.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.463 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.789 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 38.5 ttpt -55.34 -29.36 58.18 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 122.772 0.429 . . . . 0.0 111.977 -175.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -51.23 -33.61 28.68 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -175.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.545 ' HG3' HG11 ' A' ' 55' ' ' VAL . 7.5 ptp180 -87.17 -15.77 37.34 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -174.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.693 ' CE1' HG13 ' A' ' 6' ' ' ILE . 40.5 m-85 -88.91 3.7 50.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.849 0.357 . . . . 0.0 110.258 176.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -56.31 -51.88 66.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.457 -176.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -96.82 36.52 3.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.64 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -129.17 173.62 10.31 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.635 HG13 ' HA ' ' A' ' 60' ' ' VAL . 4.2 p -82.08 119.48 31.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.283 0.563 . . . . 0.0 110.979 -176.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.8 t -113.61 135.04 54.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.858 -173.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -111.4 115.34 29.1 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 173.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -96.13 120.4 36.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 -173.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.557 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 5.2 m -141.75 154.72 66.22 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.29 174.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.85 151.56 74.03 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.222 1.948 . . . . 0.0 110.737 173.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.626 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 9.1 p -62.7 -23.4 32.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.124 0.488 . . . . 0.0 110.958 -177.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.0 m -74.02 -19.44 60.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.75 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.602 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -71.63 -55.63 5.56 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -174.315 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.602 ' HD3' ' HB3' ' A' ' 87' ' ' ALA . 30.6 Cg_exo -62.89 -14.56 41.76 Favored 'Trans proline' 0 C--N 1.359 1.082 0 C-N-CA 122.491 2.127 . . . . 0.0 113.469 -174.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.573 HD12 ' HE1' ' A' ' 20' ' ' MET . 50.9 mt -73.6 -44.67 52.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.094 0.473 . . . . 0.0 110.57 179.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -96.47 -31.11 12.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.602 -178.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.569 ' HB3' ' HB2' ' A' ' 94' ' ' LYS . 20.6 m-20 -124.79 42.23 3.32 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -173.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.518 ' HB2' ' HA ' ' A' ' 25' ' ' LEU . . . -52.55 -52.04 56.82 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -178.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -61.72 -27.28 68.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.707 0.289 . . . . 0.0 111.367 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.569 ' HB2' ' HB3' ' A' ' 91' ' ' ASP . 30.4 mmtp -73.03 -46.86 49.55 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.434 HG21 ' O ' ' A' ' 91' ' ' ASP . 65.2 t -60.65 -40.12 83.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.073 -179.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 92' ' ' ALA . 90.8 mt -61.52 -48.92 86.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.679 178.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -65.98 -28.96 69.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.38 -40.53 97.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.973 0.416 . . . . 0.0 110.68 178.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.75 -41.75 98.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.13 0.491 . . . . 0.0 110.316 177.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.75 -30.54 70.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.863 176.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.67 -21.56 61.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.275 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -82.04 -23.75 35.72 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.38 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 28.5 pt -101.77 -40.04 7.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -177.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 . . . . . 0 C--N 1.328 -0.326 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.805 -177.19 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp . . . . . 0 C--O 1.234 0.246 0 CA-C-O 121.086 0.469 . . . . 0.0 109.766 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.984 ' HD2' ' HG3' ' A' ' 59' ' ' GLU . 21.4 tpp180 -69.82 128.51 36.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.468 -173.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.675 ' HD2' ' HB2' ' A' ' 35' ' ' LEU . 14.0 mmmm -86.12 125.45 33.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.99 0.424 . . . . 0.0 110.545 173.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 68.3 mt -125.48 131.88 71.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.707 176.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.643 ' H ' HD12 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -102.62 126.92 56.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 173.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -131.15 112.17 12.61 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -176.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.41 ' HB ' ' CD1' ' A' ' 63' ' ' PHE . 60.3 t -96.48 120.07 45.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.152 0.501 . . . . 0.0 110.026 179.184 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.61 HG23 ' HB1' ' A' ' 64' ' ' ALA . 23.5 p -106.89 134.55 49.88 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.009 178.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.554 ' HA ' ' O ' ' A' ' 41' ' ' GLN . . . -152.65 154.46 35.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.721 0.296 . . . . 0.0 111.148 -178.394 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 1.046 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 40.1 t -163.69 142.93 8.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.775 175.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.29 -33.96 17.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.741 0.305 . . . . 0.0 111.096 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.8 p -105.47 -72.5 0.71 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -177.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.56 68.87 3.34 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.251 -0.499 . . . . 0.0 112.888 -175.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -64.32 -19.43 24.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.77 0.319 . . . . 0.0 111.705 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.02 -32.78 70.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.119 0.485 . . . . 0.0 110.607 175.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -72.82 -31.3 64.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.36 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.428 HG22 ' HB ' ' A' ' 9' ' ' THR . 22.7 m -61.65 -49.02 78.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.943 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -70.08 -33.35 71.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.344 -177.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.7 tpt -69.53 -44.91 70.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 0.0 110.629 177.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.423 ' HB3' ' HB2' ' A' ' 88' ' ' PRO . . . -60.2 -38.09 82.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.59 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.617 ' HA ' HG12 ' A' ' 38' ' ' VAL . . . -58.1 -47.3 83.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.091 178.009 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -67.36 -40.29 85.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.57 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.81 -46.31 65.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.397 -178.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.555 HD23 ' HB3' ' A' ' 88' ' ' PRO . 77.1 mt -60.55 -46.16 91.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.041 0.448 . . . . 0.0 110.868 177.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.601 ' HA ' HG22 ' A' ' 36' ' ' ILE . 85.6 tttt -61.84 -44.22 97.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.512 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.516 ' NZ ' ' HB2' ' A' ' 27' ' ' LYS . 2.6 ttmp? -61.48 -47.73 84.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.116 -177.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.85 -50.31 68.98 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.327 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.75 -44.67 96.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.525 0.202 . . . . 0.0 111.177 179.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -62.5 -35.56 79.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.049 178.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.411 ' HE2' ' HB3' ' A' ' 31' ' ' LYS . 36.9 ttpt -67.95 -37.1 81.17 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.584 179.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.2 mmt -84.75 3.27 38.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.384 -178.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.58 14.06 68.91 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 120.838 -0.696 . . . . 0.0 113.089 175.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -97.78 170.43 8.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.021 0.439 . . . . 0.0 110.538 -178.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.675 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 87.3 mt -122.42 99.49 6.44 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.142 -179.009 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.601 HG22 ' HA ' ' A' ' 26' ' ' LYS . 15.0 tt -105.2 140.18 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.966 -177.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.463 ' HB3' HD21 ' A' ' 50' ' ' LEU . 5.8 tmtt? -115.88 105.49 12.73 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 175.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.617 HG12 ' HA ' ' A' ' 22' ' ' ALA . 34.7 t -92.28 120.23 41.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.103 -175.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.608 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 34.3 tt0 -95.12 139.08 31.96 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.197 178.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 25.0 m -117.61 112.83 21.07 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 120.891 0.377 . . . . 0.0 110.99 -176.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.554 ' O ' ' HA ' ' A' ' 10' ' ' ALA . 46.7 tt0 -115.11 134.72 54.91 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 177.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -107.83 -86.21 1.81 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.187 -1.006 . . . . 0.0 111.457 177.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -139.62 107.08 5.55 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.6 p 52.87 25.48 3.94 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.421 0.689 . . . . 0.0 111.7 -175.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.85 128.94 3.24 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.642 -0.583 . . . . 0.0 111.642 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.0 mt -118.0 122.8 70.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -178.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -88.36 -69.58 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.441 -175.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.53 ' HB2' ' HA ' ' A' ' 39' ' ' GLU . 75.4 m-20 -84.6 64.99 8.79 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.591 0.234 . . . . 0.0 110.813 -177.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -57.01 114.36 2.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.269 -178.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.608 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 81.8 mt -72.04 141.05 49.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.199 -178.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.45 ' O ' HG22 ' A' ' 55' ' ' VAL . 44.3 p -79.06 160.72 26.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.553 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -60.51 -38.55 84.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.313 0.578 . . . . 0.0 109.983 177.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.523 ' O ' HG12 ' A' ' 57' ' ' ILE . 47.0 mtmt -62.68 -49.09 76.49 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.905 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -59.56 -38.83 82.13 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.588 HG12 ' HG3' ' A' ' 74' ' ' ARG . 77.8 t -64.59 -42.76 96.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.331 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -73.56 -34.04 64.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.607 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.523 HG12 ' O ' ' A' ' 53' ' ' LYS . 46.4 mm -77.72 -35.97 21.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.033 0.444 . . . . 0.0 110.434 179.134 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.461 ' HA2' ' O ' ' A' ' 4' ' ' LYS . . . -64.57 131.69 37.83 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.17 176.102 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.984 ' HG3' ' HD2' ' A' ' 3' ' ' ARG . 6.1 mm-40 -78.04 -66.4 0.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.257 0.551 . . . . 0.0 109.985 -177.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 28.3 m -101.65 150.27 6.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.263 -176.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 20.4 t -110.24 114.75 47.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.057 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.9 mt -91.88 114.83 29.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.41 ' CD1' ' HB ' ' A' ' 8' ' ' VAL . 4.0 m-85 -103.85 95.41 6.0 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.788 0.328 . . . . 0.0 110.755 177.035 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.61 ' HB1' HG23 ' A' ' 9' ' ' THR . . . -97.28 89.81 4.88 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 171.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.2 m -131.82 -169.11 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.456 0.646 . . . . 0.0 112.605 -167.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 1.046 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 23.4 t70 -157.71 -34.89 0.07 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.261 -1.336 . . . . 0.0 108.556 -174.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.6 t -117.12 -175.96 2.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.931 -1.031 . . . . 0.0 108.623 171.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -80.4 158.59 25.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.975 0.417 . . . . 0.0 110.735 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.8 m -113.7 156.71 14.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.085 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.561 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 47.2 ttt180 -92.55 -39.58 11.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.105 0.479 . . . . 0.0 110.506 179.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.482 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 13.0 m-20 -68.81 -6.07 24.66 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.621 -172.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.472 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 21.2 pttp -49.77 -23.37 1.79 Allowed 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.104 0.253 . . . . 0.0 111.543 174.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.561 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 28.7 mt-10 -43.0 -50.32 5.91 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.285 0.634 . . . . 0.0 111.546 176.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.588 ' HG3' HG12 ' A' ' 55' ' ' VAL . 6.6 ptp180 -84.37 -25.15 29.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.544 -172.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.62 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 24.3 m-85 -81.13 -6.97 59.44 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.125 178.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -64.09 121.13 13.44 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 177.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.7 -12.03 64.52 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.501 -178.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.62 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 25.3 mtpp -93.32 172.62 8.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.67 0.271 . . . . 0.0 110.396 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.0 t -85.77 118.42 32.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -178.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.9 t -118.32 141.82 35.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.795 0.331 . . . . 0.0 111.679 -172.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -125.34 115.93 21.1 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 174.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -109.45 125.7 52.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.852 0.358 . . . . 0.0 111.898 -173.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.4 m -139.03 158.56 69.41 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.091 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -61.62 141.03 89.81 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.578 2.186 . . . . 0.0 111.149 174.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.437 ' O ' ' HD2' ' A' ' 88' ' ' PRO . 14.5 p -59.83 -27.97 39.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -176.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.7 m -74.15 -19.69 60.48 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.604 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -68.38 -54.85 13.5 Favored Pre-proline 0 CA--C 1.539 0.536 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -175.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.604 ' HD3' ' HB3' ' A' ' 87' ' ' ALA . 44.2 Cg_exo -58.68 -14.85 23.32 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 122.901 2.401 . . . . 0.0 114.052 -174.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 47.9 mt -60.08 -51.08 77.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.109 0.481 . . . . 0.0 110.171 176.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -96.92 -36.29 10.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.145 177.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.616 ' HB3' ' HB3' ' A' ' 94' ' ' LYS . 3.3 m-20 -98.21 33.41 2.19 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.816 -173.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.78 -51.23 64.11 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.67 0.271 . . . . 0.0 111.245 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -64.46 -33.07 75.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.188 -179.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.616 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 29.3 tptp -68.81 -40.93 79.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.804 -178.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 91' ' ' ASP . 74.4 t -70.16 -44.77 77.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.04 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.04 -44.65 99.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.741 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -67.23 -38.79 85.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.203 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.38 99.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.831 0.348 . . . . 0.0 110.837 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.24 -38.92 91.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.945 179.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 98.9 mt -74.71 -31.34 61.83 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.107 178.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.99 -37.98 85.19 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -175.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.507 HD11 ' C ' ' A' ' 102' ' ' LEU . 2.3 pp -73.49 -5.86 42.76 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -176.158 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.494 HG23 HD11 ' A' ' 102' ' ' LEU . 23.1 pt -112.93 -33.38 2.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 120.963 0.411 . . . . 0.0 110.462 172.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 17.6 t70 . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.137 178.948 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.2 ttp . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.817 0.341 . . . . 0.0 110.456 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.552 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 36.8 mtmm -91.79 101.49 14.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.702 -178.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -74.48 141.36 44.94 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.495 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 27.6 mmtp -90.75 114.1 26.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.483 -176.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.56 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 70.5 mt -134.77 139.88 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.55 0.214 . . . . 0.0 110.806 -177.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.897 HG23 ' HB2' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -118.28 146.06 23.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 171.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -144.23 132.26 21.61 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 121.251 -0.179 . . . . 0.0 110.7 -176.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.8 t -105.75 131.17 55.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.001 0.429 . . . . 0.0 110.859 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.6 p -119.38 126.39 51.28 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.639 176.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.42 ' N ' HG13 ' A' ' 65' ' ' VAL . . . -152.87 127.98 9.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.058 0.456 . . . . 0.0 111.622 -176.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.6 t -149.26 147.44 28.38 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.459 ' HA ' ' HB1' ' A' ' 43' ' ' ALA . . . -92.14 -75.14 0.49 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.019 0.438 . . . . 0.0 110.81 -177.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 p -95.56 94.52 7.81 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.298 0.571 . . . . 0.0 110.528 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 129.57 48.08 0.15 Allowed Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -175.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.7 m -66.98 -14.26 17.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 N-CA-C 111.722 0.268 . . . . 0.0 111.722 -176.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.46 -33.0 67.52 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 175.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -63.78 -53.03 57.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.163 174.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.49 HG21 HG21 ' A' ' 40' ' ' THR . 5.6 m -53.28 -53.87 44.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.687 -176.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.58 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 82.1 m-85 -67.56 -46.61 72.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.507 -176.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.6 tpp -61.67 -41.95 98.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.754 0.312 . . . . 0.0 110.786 -178.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.06 -47.56 82.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.575 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.47 -31.59 71.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.285 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 19' ' ' TYR . 27.3 mm-40 -76.5 -52.99 8.73 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 121.103 -0.239 . . . . 0.0 110.67 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.69 -43.44 98.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.952 0.406 . . . . 0.0 111.103 -177.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.3 tp -60.8 -42.31 97.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.679 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -64.89 -45.67 84.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.303 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -59.39 -48.12 82.84 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.057 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.26 -45.16 96.56 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.631 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.95 -39.42 94.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.934 0.397 . . . . 0.0 111.067 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -68.91 -38.81 79.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.527 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -64.21 -37.74 88.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.625 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 87.4 mmm -74.5 -21.2 59.68 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.646 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.91 51.91 2.91 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.764 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.552 ' HA ' ' HA ' ' A' ' 2' ' ' LYS . 42.8 m-80 -126.65 -177.85 4.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.702 0.287 . . . . 0.0 110.612 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.468 ' HG ' ' HB3' ' A' ' 2' ' ' LYS . 83.8 mt -120.51 110.2 16.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.793 177.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.56 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 15.6 tt -120.98 143.56 32.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.087 0.47 . . . . 0.0 111.161 -175.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.897 ' HB2' HG23 ' A' ' 6' ' ' ILE . 68.2 mmtt -115.49 102.73 10.07 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.285 175.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.5 t -96.81 116.65 39.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.005 0.431 . . . . 0.0 110.599 -177.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 28.8 tt0 -94.44 132.66 38.85 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.521 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.49 HG21 HG21 ' A' ' 18' ' ' THR . 56.5 m -118.69 113.38 21.09 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.775 0.321 . . . . 0.0 110.817 -176.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.839 ' HG2' HG12 ' A' ' 46' ' ' ILE . 20.0 mt-30 -103.69 115.69 30.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.72 175.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.02 63.85 3.79 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.254 -1.139 . . . . 0.0 110.254 171.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.459 ' HB1' ' HA ' ' A' ' 12' ' ' ALA . . . 75.5 -73.26 0.09 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 124.099 0.96 . . . . 0.0 110.581 -175.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.8 m -112.86 -33.63 6.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.035 0.445 . . . . 0.0 110.644 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.8 111.42 3.24 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.735 -177.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.839 HG12 ' HG2' ' A' ' 41' ' ' GLN . 40.1 mt -85.38 120.92 36.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -96.31 -16.93 21.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.769 0.319 . . . . 0.0 111.674 -174.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.463 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 65.5 t30 -140.68 82.46 1.85 Allowed 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.738 ' HG3' HD22 ' A' ' 71' ' ' ASN . 36.8 tt0 -76.2 111.65 11.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.227 -174.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 70.0 mt -82.01 117.16 22.01 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.063 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.2 p -82.09 176.64 9.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.737 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -53.73 -40.19 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.485 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.567 ' O ' HG13 ' A' ' 57' ' ' ILE . 25.1 ttpp -53.09 -55.95 19.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.299 176.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -66.09 -39.16 89.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.335 0.588 . . . . 0.0 110.544 -174.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.733 HG23 ' HG3' ' A' ' 74' ' ' ARG . 38.9 t -67.72 -32.23 55.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.598 -178.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -79.89 -21.35 44.11 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.824 177.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.567 HG13 ' O ' ' A' ' 53' ' ' LYS . 87.7 mt -68.8 -56.89 10.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 174.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.464 ' HA3' HG22 ' A' ' 6' ' ' ILE . . . -72.88 135.49 21.66 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.905 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 9.0 pt-20 -90.14 -45.15 9.31 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.371 -0.488 . . . . 0.0 110.961 -178.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.637 HG12 ' HB2' ' A' ' 99' ' ' ALA . 39.2 t -93.87 135.61 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.668 HG23 HD11 ' A' ' 6' ' ' ILE . 23.6 t -110.06 109.44 28.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.37 177.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.1 mt -91.22 128.46 42.98 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -112.92 107.77 16.46 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.744 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.641 ' HB3' ' HA ' ' A' ' 85' ' ' VAL . . . -118.3 90.69 3.39 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 173.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 10' ' ' ALA . 27.3 m -140.95 152.49 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.941 -170.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -105.21 -19.78 13.71 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.583 169.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.8 t -125.84 -172.96 2.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.257 -176.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -78.19 161.33 27.4 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.24 0.543 . . . . 0.0 111.703 -175.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.693 ' HB ' ' HB3' ' A' ' 72' ' ' LYS . 48.2 t -114.83 144.1 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.188 177.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.616 ' HB2' HD13 ' A' ' 46' ' ' ILE . 52.4 mtp180 -92.62 -40.87 10.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.899 0.38 . . . . 0.0 110.998 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.738 HD22 ' HG3' ' A' ' 49' ' ' GLU . 94.9 m-20 -79.32 -5.9 55.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.318 -178.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.693 ' HB3' ' HB ' ' A' ' 69' ' ' VAL . 22.1 pttp -48.42 -24.97 1.42 Allowed 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.488 0.492 . . . . 0.0 112.081 -177.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -51.67 -42.59 62.25 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.251 0.345 . . . . 0.0 111.706 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.733 ' HG3' HG23 ' A' ' 55' ' ' VAL . 12.2 ptp180 -80.98 -27.54 35.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.732 0.301 . . . . 0.0 111.596 -177.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.575 ' HB3' HG13 ' A' ' 61' ' ' VAL . 90.8 m-85 -77.67 -29.23 51.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.877 178.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -66.32 128.44 36.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.637 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.07 -10.88 48.22 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -176.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.431 ' HE2' ' O ' ' A' ' 55' ' ' VAL . 18.5 mtpp -100.56 174.19 6.2 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 176.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.9 p -84.53 121.28 36.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -177.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.636 HG11 ' HB ' ' A' ' 61' ' ' VAL . 3.2 m -121.92 160.23 23.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.584 0.706 . . . . 0.0 112.268 -170.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -129.46 103.22 6.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.522 175.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -93.86 121.85 35.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.396 -174.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.6 m -141.06 164.04 38.38 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.402 178.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -62.94 148.98 92.87 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.303 2.002 . . . . 0.0 111.214 173.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.641 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 12.7 p -64.31 -24.06 34.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.213 0.53 . . . . 0.0 111.075 -177.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.6 p -74.67 -20.13 60.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.938 178.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.578 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -63.67 -53.61 49.38 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -174.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.578 ' HD3' ' HB3' ' A' ' 87' ' ' ALA . 23.4 Cg_exo -65.55 -3.58 8.06 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 122.428 2.086 . . . . 0.0 113.208 -177.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 81.4 mt -83.25 -45.0 18.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.091 0.472 . . . . 0.0 110.257 176.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -96.53 -29.52 13.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.598 -176.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.472 ' O ' HG22 ' A' ' 95' ' ' VAL . 0.8 OUTLIER -130.95 42.99 3.17 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -173.659 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' A' ' 88' ' ' PRO . . . -52.37 -51.39 59.21 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -177.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -60.12 -33.15 71.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.142 0.496 . . . . 0.0 110.514 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.462 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 1.1 tppp? -71.6 -39.37 70.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.838 -178.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 91' ' ' ASP . 59.6 t -63.68 -38.83 83.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.46 177.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 92' ' ' ALA . 76.9 mt -63.11 -42.12 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.297 176.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -63.71 -36.73 84.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.712 176.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.69 -40.22 96.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.637 ' HB2' HG12 ' A' ' 60' ' ' VAL . . . -60.29 -42.17 94.92 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.319 0.581 . . . . 0.0 110.163 176.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.97 -29.09 69.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.754 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.865 ' HA ' ' HA ' ' A' ' 105' ' ' GLU . . . -71.11 -19.15 62.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.753 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.02 -21.34 31.67 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.642 0.258 . . . . 0.0 111.336 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.0 pt -113.9 -24.98 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -177.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -135.92 -54.61 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.768 0.318 . . . . 0.0 110.42 -174.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.865 ' HA ' ' HA ' ' A' ' 101' ' ' ALA . 28.6 tt0 68.72 101.97 0.06 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.186 -0.916 . . . . 0.0 112.271 178.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 57.6 tttp . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.635 -0.698 . . . . 0.0 110.206 168.61 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.2 mtt . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 121.027 0.442 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 46.2 pttt -81.55 80.72 7.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.362 0.601 . . . . 0.0 111.393 -177.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -84.47 133.7 34.47 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 176.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.524 ' HG3' ' HG3' ' A' ' 59' ' ' GLU . 4.6 ptpt -92.56 116.6 29.14 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.35 0.595 . . . . 0.0 110.983 -177.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.492 HG21 HG21 ' A' ' 60' ' ' VAL . 50.1 mt -129.38 140.43 49.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.478 -174.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.778 HD11 HG22 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -114.52 137.15 48.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 173.198 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.465 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -138.0 132.31 32.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.832 0.348 . . . . 0.0 111.006 -175.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -108.84 116.2 51.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.474 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.1 p -100.97 114.13 27.75 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.201 174.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.652 ' HA ' ' O ' ' A' ' 41' ' ' GLN . . . -136.37 109.14 7.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.171 0.51 . . . . 0.0 111.128 -177.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.405 ' HB2' HG21 ' A' ' 85' ' ' VAL . 45.5 t -119.4 128.44 54.05 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.585 -178.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.08 -10.65 17.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.356 177.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.3 m -84.74 -51.53 6.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.467 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.4 108.53 0.7 Allowed Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.564 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.4 t -56.33 -32.14 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.877 0.37 . . . . 0.0 111.278 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.03 -35.48 71.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.969 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.7 m170 -66.27 -33.13 75.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.155 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.401 HG23 HG23 ' A' ' 40' ' ' THR . 25.6 m -58.32 -51.64 68.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.125 0.488 . . . . 0.0 110.8 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -75.95 -33.64 59.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.848 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.432 ' SD ' HD12 ' A' ' 89' ' ' ILE . 48.7 ttm -62.64 -48.84 77.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.852 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.459 ' HA ' HG12 ' A' ' 89' ' ' ILE . . . -65.37 -47.82 75.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.943 -177.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.01 -42.7 85.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.513 -178.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -70.49 -47.43 60.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.279 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.55 -43.3 90.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.042 0.448 . . . . 0.0 110.951 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.572 ' HB2' ' HB2' ' A' ' 88' ' ' PRO . 57.9 tp -60.67 -48.95 79.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.983 177.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -67.91 -30.31 69.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -62.45 -48.09 81.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.017 177.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.66 -40.8 96.07 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.744 177.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.494 ' HB3' HD22 ' A' ' 34' ' ' ASN . . . -62.22 -48.26 80.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.999 0.428 . . . . 0.0 111.166 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -64.66 -32.07 73.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.253 0.549 . . . . 0.0 110.151 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.493 ' HZ1' ' CD ' ' A' ' 93' ' ' GLU . 27.4 ttpp -67.57 -30.29 69.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.545 178.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 21.8 mmt -80.99 -28.36 35.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.74 -179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.88 18.73 17.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.546 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.619 ' HA ' ' HA ' ' A' ' 2' ' ' LYS . 1.7 p-10 -104.42 168.22 9.24 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.031 0.443 . . . . 0.0 110.998 178.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.7 mt -100.5 130.42 46.58 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.674 -178.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.489 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 17.4 tt -137.34 139.34 43.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.231 0.539 . . . . 0.0 111.344 -176.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.07 102.25 9.46 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.253 177.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 3.6 m -93.99 130.2 43.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.079 0.466 . . . . 0.0 111.55 -179.144 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.648 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 36.8 tt0 -103.94 137.95 41.2 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.832 176.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.472 ' OG1' ' HB3' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -106.45 111.53 24.14 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.493 179.812 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.652 ' O ' ' HA ' ' A' ' 10' ' ' ALA . 7.8 tt0 -131.92 163.14 29.0 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.61 -72.57 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.24 -0.981 . . . . 0.0 112.138 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.86 122.1 4.64 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.1 p 52.75 26.89 4.81 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.484 0.713 . . . . 0.0 111.951 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.58 118.2 0.81 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.884 -175.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 50.2 mt -110.96 127.7 67.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 175.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.472 ' HB3' ' OG1' ' A' ' 40' ' ' THR . 40.1 tt0 -90.94 -63.48 1.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.06 -175.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.459 ' HB3' ' HA ' ' A' ' 39' ' ' GLU . 19.3 t-20 -69.95 -47.15 63.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.304 -175.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 63.38 87.97 0.1 Allowed 'General case' 0 C--O 1.236 0.345 0 O-C-N 123.726 0.641 . . . . 0.0 110.442 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.648 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 84.6 mt -66.01 110.99 3.13 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.537 0.684 . . . . 0.0 111.21 -177.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.464 ' O ' HG21 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -74.42 156.6 36.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.431 -178.495 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -53.34 -39.27 63.97 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.904 -175.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.533 ' O ' HG13 ' A' ' 57' ' ' ILE . 24.5 mtpp -53.78 -56.92 13.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.919 177.14 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.25 -33.84 75.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -177.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.464 HG21 ' O ' ' A' ' 51' ' ' THR . 89.1 t -63.43 -39.47 85.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.175 178.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -83.23 -18.66 38.47 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.73 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 53' ' ' LYS . 77.2 mt -72.78 -63.12 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 173.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.494 ' HA3' HG23 ' A' ' 6' ' ' ILE . . . -55.91 126.67 40.85 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.338 177.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.524 ' HG3' ' HG3' ' A' ' 4' ' ' LYS . 35.0 mt-10 -84.99 -59.68 2.27 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -177.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.492 HG21 HG21 ' A' ' 5' ' ' ILE . 15.9 m -95.39 145.98 7.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.287 176.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.778 HG22 HD11 ' A' ' 6' ' ' ILE . 12.4 t -112.23 140.51 31.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.913 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.429 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 68.9 mt -119.45 131.14 72.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 176.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -116.56 110.89 19.16 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.755 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.464 ' HB2' ' HA ' ' A' ' 85' ' ' VAL . . . -114.53 91.22 3.55 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 174.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.505 HG13 ' HB1' ' A' ' 10' ' ' ALA . 29.7 m -142.79 156.21 17.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.094 -169.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -101.59 -35.46 9.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.055 168.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.4 t -107.33 -171.8 1.95 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.946 -1.025 . . . . 0.0 110.151 -175.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -78.23 157.63 29.24 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.745 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.495 ' HB ' ' HB3' ' A' ' 72' ' ' LYS . 61.1 t -115.22 133.9 60.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.907 174.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -67.32 -55.71 12.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.306 0.574 . . . . 0.0 110.717 175.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.581 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 87.2 m-20 -71.62 -6.2 39.15 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.766 -170.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.495 ' HB3' ' HB ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -55.6 -23.5 27.71 Favored 'General case' 0 C--O 1.221 -0.428 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 177.407 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -47.42 -44.76 24.95 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.379 0.672 . . . . 0.0 112.445 177.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.581 ' HG2' ' O ' ' A' ' 71' ' ' ASN . 7.7 ptp180 -81.24 -26.87 35.51 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.975 0.417 . . . . 0.0 111.232 -176.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.557 ' CE1' HG13 ' A' ' 6' ' ' ILE . 38.5 m-85 -84.32 -13.12 53.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.452 178.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -63.83 -32.31 73.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.168 -176.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -90.34 9.93 75.92 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.949 176.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -116.66 -174.49 2.58 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.6 p -97.34 118.68 44.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.948 0.404 . . . . 0.0 110.454 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.633 HG13 ' HB ' ' A' ' 61' ' ' VAL . 2.8 m -121.56 157.42 25.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.298 0.57 . . . . 0.0 111.829 -174.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.465 ' HB2' HD11 ' A' ' 102' ' ' LEU . 2.5 tm? -126.5 111.63 14.63 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 173.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -95.61 131.75 41.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.961 -174.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.5 m -142.27 163.67 38.14 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.166 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -64.43 153.75 75.29 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.214 1.943 . . . . 0.0 110.952 171.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.464 ' HA ' ' HB2' ' A' ' 64' ' ' ALA . 9.4 p -65.07 -25.85 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.024 0.44 . . . . 0.0 111.076 -177.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.451 ' HA ' HD13 ' A' ' 89' ' ' ILE . 30.4 t -74.49 -21.3 59.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.012 0.434 . . . . 0.0 111.179 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.0 -55.36 38.27 Favored Pre-proline 0 CA--C 1.537 0.46 0 N-CA-C 112.737 0.644 . . . . 0.0 112.737 -173.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.572 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 57.8 Cg_endo -69.27 -7.2 20.26 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 121.962 1.775 . . . . 0.0 112.994 -176.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.459 HG12 ' HA ' ' A' ' 21' ' ' ALA . 68.7 mt -77.92 -43.24 28.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.276 0.56 . . . . 0.0 109.737 176.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -97.05 -43.41 7.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.43 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.453 ' HB3' ' HB3' ' A' ' 94' ' ' LYS . 41.3 m-20 -115.36 40.92 2.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.538 -169.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.598 ' O ' HG13 ' A' ' 95' ' ' VAL . . . -56.87 -38.87 73.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.855 0.359 . . . . 0.0 110.959 178.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.493 ' CD ' ' HZ1' ' A' ' 31' ' ' LYS . 6.7 mm-40 -59.09 -40.88 86.64 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.286 0.565 . . . . 0.0 110.433 176.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.66 ' HA ' ' HE3' ' A' ' 94' ' ' LYS . 1.8 tpmt? -73.61 -41.72 62.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.52 -175.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.598 HG13 ' O ' ' A' ' 92' ' ' ALA . 5.3 p -65.59 -39.56 85.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.375 -178.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.402 ' O ' HD23 ' A' ' 100' ' ' LEU . 80.4 mt -59.25 -50.94 77.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.544 174.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -61.59 -36.12 79.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.197 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.56 -36.99 84.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.299 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.88 94.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.688 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 96' ' ' ILE . 4.4 mm? -63.66 -30.66 71.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.105 177.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.741 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -66.0 -17.4 64.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.848 0.356 . . . . 0.0 111.382 -178.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.465 HD11 ' HB2' ' A' ' 81' ' ' LEU . 94.0 mt -75.33 -26.92 59.02 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.509 -179.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.405 HG13 ' N ' ' A' ' 104' ' ' ASP . 19.6 pt -128.37 -49.05 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -175.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.405 ' N ' HG13 ' A' ' 103' ' ' ILE . 27.8 m-20 -95.8 -58.01 2.22 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -172.193 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.741 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 11.9 mm-40 -70.79 -28.63 64.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.482 -174.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 58.3 tttp . . . . . 0 C--O 1.247 0.923 0 O-C-N 123.87 0.731 . . . . 0.0 110.82 174.788 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.456 ' O ' ' HB3' ' A' ' 34' ' ' ASN . 62.6 mtt . . . . . 0 N--CA 1.481 1.112 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -40.63 97.52 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 -172.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.431 ' HD2' ' CG ' ' A' ' 59' ' ' GLU . 2.9 tpp180 -155.32 143.95 20.5 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.806 172.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -79.86 122.0 26.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.092 0.472 . . . . 0.0 110.737 176.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 67.8 mt -127.2 133.89 67.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.29 176.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.567 ' H ' HD12 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -111.8 132.5 60.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 120.907 0.384 . . . . 0.0 110.147 177.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.469 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -135.98 129.59 32.33 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.863 -176.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.641 HG11 HG22 ' A' ' 69' ' ' VAL . 61.9 t -108.8 131.04 60.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.112 0.482 . . . . 0.0 110.618 178.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.479 ' O ' ' HA ' ' A' ' 40' ' ' THR . 17.0 p -115.6 115.94 27.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.373 175.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.509 ' HA ' ' O ' ' A' ' 41' ' ' GLN . . . -139.61 106.59 5.43 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.833 0.349 . . . . 0.0 111.27 -175.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.605 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 52.2 t -148.26 126.03 11.88 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.941 179.054 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.627 ' HB1' HG21 ' A' ' 67' ' ' THR . . . -108.91 -19.37 13.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.033 -178.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.469 ' HG1' ' CG ' ' A' ' 66' ' ' ASP . 40.4 p -76.83 -42.0 42.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.243 0.544 . . . . 0.0 110.468 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -126.38 79.62 0.37 Allowed Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.403 177.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 m -60.25 -28.68 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -174.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.8 -27.79 67.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.099 0.476 . . . . 0.0 110.819 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -74.52 -38.99 62.65 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.605 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 1.5 m -59.96 -58.61 7.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.463 -178.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -66.08 -27.59 68.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.587 -175.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.8 tpp -67.21 -58.64 4.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.242 176.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.11 -39.78 83.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.137 -177.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.511 ' O ' ' HG3' ' A' ' 26' ' ' LYS . . . -53.94 -57.23 11.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.15 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.496 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 76.6 mt-30 -71.96 -33.7 68.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.166 -177.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.77 -43.41 94.36 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.887 0.375 . . . . 0.0 110.482 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.542 HD21 ' HB3' ' A' ' 88' ' ' PRO . 84.0 mt -61.25 -44.03 97.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.099 175.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 54.8 mtpt -63.24 -36.46 83.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' A' ' 23' ' ' GLN . 89.6 mttt -70.58 -52.58 20.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.156 0.503 . . . . 0.0 110.618 177.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.91 -20.46 48.7 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.972 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.411 ' HB2' HG22 ' A' ' 36' ' ' ILE . . . -54.8 -49.07 71.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.629 0.252 . . . . 0.0 111.244 177.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -69.45 -28.01 65.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.096 0.474 . . . . 0.0 110.765 -177.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.51 ' HD3' ' HG2' ' A' ' 93' ' ' GLU . 86.3 tttt -70.94 -30.23 66.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.219 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.758 ' HE2' ' HA ' ' A' ' 32' ' ' MET . 10.1 mmt -92.62 -14.43 28.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.224 176.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.23 21.16 65.57 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.989 176.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.506 ' C ' HD21 ' A' ' 34' ' ' ASN . 0.3 OUTLIER -115.08 173.08 6.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.652 0.263 . . . . 0.0 111.222 -178.712 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 62.0 mt -111.21 107.57 16.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.035 -176.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.42 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 14.6 tt -106.93 143.31 17.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.193 0.52 . . . . 0.0 110.62 -176.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.423 ' HB2' HG22 ' A' ' 6' ' ' ILE . 13.9 mmmm -116.14 104.34 11.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.064 175.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.469 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 61.3 t -96.56 126.33 49.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.393 0.616 . . . . 0.0 111.505 -175.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.854 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 29.4 tt0 -102.18 147.75 26.26 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.941 175.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' A' ' 9' ' ' THR . 87.3 m -133.72 120.6 20.78 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 120.655 0.264 . . . . 0.0 110.907 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.615 ' HG2' HG12 ' A' ' 46' ' ' ILE . 10.9 mt-30 -121.26 148.18 44.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.165 175.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -94.85 -69.3 1.06 Allowed Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 169.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -143.37 -49.06 0.31 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.086 0.469 . . . . 0.0 109.812 173.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.4 m -119.15 -28.85 5.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.243 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -87.0 129.86 9.7 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.688 -175.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.615 HG12 ' HG2' ' A' ' 41' ' ' GLN . 47.8 mt -109.44 129.75 63.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.42 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 33.1 tt0 -85.99 -32.87 21.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.757 0.313 . . . . 0.0 111.047 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -147.28 94.14 2.35 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 -177.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -68.56 127.66 33.83 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.17 0.509 . . . . 0.0 111.397 -177.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.854 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 78.2 mt -87.6 136.6 32.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.325 175.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.641 ' O ' HG21 ' A' ' 55' ' ' VAL . 77.5 p -90.62 158.58 16.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.724 -178.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -59.38 -35.01 73.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.725 0.298 . . . . 0.0 110.598 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -68.06 -34.74 77.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.92 178.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.17 -43.74 94.21 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.196 0.522 . . . . 0.0 109.984 174.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.641 HG21 ' O ' ' A' ' 51' ' ' THR . 21.2 t -71.52 -31.12 41.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.14 -176.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -74.55 -48.56 26.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.841 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.8 mm -69.81 -29.47 40.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.855 0.36 . . . . 0.0 110.339 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.6 140.58 42.88 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.87 172.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.431 ' CG ' ' HD2' ' A' ' 3' ' ' ARG . 61.1 mm-40 -87.0 -46.45 9.82 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.095 0.474 . . . . 0.0 110.488 -178.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.2 m -125.85 148.43 30.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.013 -176.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.625 ' HB ' HG12 ' A' ' 80' ' ' VAL . 40.9 t -112.14 141.54 27.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.376 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.912 HD13 ' HB1' ' A' ' 99' ' ' ALA . 24.5 mm -113.22 131.65 64.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 120.776 0.322 . . . . 0.0 110.132 174.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -119.06 104.18 10.23 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.209 176.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.623 ' HB3' ' HA ' ' A' ' 85' ' ' VAL . . . -107.63 90.84 3.42 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 172.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 32.6 m -136.3 157.29 37.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.664 0.745 . . . . 0.0 112.715 -170.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.469 ' CG ' ' HG1' ' A' ' 13' ' ' THR . 0.0 OUTLIER -128.01 -27.76 2.72 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.197 -1.365 . . . . 0.0 108.552 170.812 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.627 HG21 ' HB1' ' A' ' 12' ' ' ALA . 10.2 p -113.72 -166.0 1.05 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.045 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.426 ' H ' ' HB ' ' A' ' 67' ' ' THR . 81.7 tttt -87.8 136.23 33.05 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.083 -172.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.641 HG22 HG11 ' A' ' 8' ' ' VAL . 0.8 OUTLIER -115.82 129.15 72.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.313 174.224 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 71' ' ' ASN . 0.0 OUTLIER -85.46 -24.62 27.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.266 0.555 . . . . 0.0 110.717 -170.246 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.415 ' HA ' HH21 ' A' ' 74' ' ' ARG . 83.1 m-20 -82.71 -5.83 59.08 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.233 -179.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.556 ' HE3' HG11 ' A' ' 69' ' ' VAL . 41.1 ttmt -49.42 -28.78 5.55 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.677 0.611 . . . . 0.0 111.081 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.459 ' HB2' ' NH2' ' A' ' 74' ' ' ARG . 38.9 mt-10 -52.96 -37.81 61.46 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.733 177.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.459 ' NH2' ' HB2' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -62.71 -46.32 88.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.333 0.587 . . . . 0.0 110.482 179.748 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.534 ' HD2' ' HA ' ' A' ' 72' ' ' LYS . 4.3 m-85 -83.48 -0.46 50.24 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.738 -174.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -60.56 -47.07 87.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 -178.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -88.68 4.32 85.04 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.562 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.407 ' CE ' HG11 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -105.9 -177.04 3.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.818 0.342 . . . . 0.0 110.919 179.769 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.9 t -100.03 117.93 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.084 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.625 HG12 ' HB ' ' A' ' 61' ' ' VAL . 1.9 m -124.46 152.02 30.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.234 0.54 . . . . 0.0 111.744 -174.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.509 ' HB3' HD11 ' A' ' 62' ' ' ILE . 2.4 tm? -119.96 106.13 11.73 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 172.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -98.21 132.34 43.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -174.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.6 m -142.87 167.02 17.27 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.3 -178.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -59.77 146.8 94.62 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.469 2.113 . . . . 0.0 111.302 172.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.623 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 14.4 p -62.26 -31.63 52.22 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 -173.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.4 m -75.36 -19.35 59.62 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.599 ' HB2' ' HD3' ' A' ' 88' ' ' PRO . . . -57.85 -54.22 57.65 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -175.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.599 ' HD3' ' HB2' ' A' ' 87' ' ' ALA . 12.7 Cg_exo -71.76 4.02 3.4 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.382 2.055 . . . . 0.0 113.522 -177.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 27.1 mt -67.97 -50.17 61.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 110.607 178.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -96.2 -37.57 10.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.139 0.495 . . . . 0.0 110.792 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.759 ' HB3' ' HB2' ' A' ' 94' ' ' LYS . 28.4 m-20 -104.87 41.86 1.28 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.893 -170.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.716 ' O ' HG11 ' A' ' 95' ' ' VAL . . . -59.43 -44.15 92.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.72 0.295 . . . . 0.0 111.558 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.51 ' HG2' ' HD3' ' A' ' 31' ' ' LYS . 2.2 mp0 -68.09 -30.59 69.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.274 0.559 . . . . 0.0 110.263 178.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.759 ' HB2' ' HB3' ' A' ' 91' ' ' ASP . 74.9 mmtt -74.05 -40.83 62.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.944 -177.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.716 HG11 ' O ' ' A' ' 92' ' ' ALA . 3.1 p -65.48 -37.49 80.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.144 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 92' ' ' ALA . 73.8 mt -62.21 -46.49 96.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.314 174.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -61.41 -38.45 87.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 177.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.67 -39.68 92.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.661 177.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.912 ' HB1' HD13 ' A' ' 62' ' ' ILE . . . -67.79 -45.38 74.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.037 0.446 . . . . 0.0 110.814 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 98.4 mt -59.14 -27.7 65.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.63 177.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.899 ' HA ' ' HA ' ' A' ' 105' ' ' GLU . . . -63.97 -21.95 66.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.826 177.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.63 -18.16 57.05 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.551 0.204 . . . . 0.0 111.551 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 21.7 pt -115.58 -30.82 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -178.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.429 ' OD2' ' HB3' ' A' ' 106' ' ' LYS . 23.6 t70 -137.31 -41.2 0.57 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.524 -177.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.899 ' HA ' ' HA ' ' A' ' 101' ' ' ALA . 0.4 OUTLIER 63.95 70.65 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.947 -178.584 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.545 ' HB3' ' NZ ' ' A' ' 106' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.244 0.773 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.242 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 ttt . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 121.012 0.434 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.574 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 52.6 mttp -113.82 98.47 7.04 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.789 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -63.58 134.39 55.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.257 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.415 ' CB ' ' HA2' ' A' ' 58' ' ' GLY . 39.7 mmtm -81.89 110.05 16.82 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 178.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.55 HG22 HD11 ' A' ' 62' ' ' ILE . 67.5 mt -117.28 130.96 71.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.317 -176.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.538 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -115.84 125.84 73.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 168.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -132.55 139.17 47.75 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.815 -174.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.467 HG13 ' HB3' ' A' ' 39' ' ' GLU . 52.8 t -118.78 126.31 75.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.382 178.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.469 HG23 ' HB1' ' A' ' 64' ' ' ALA . 35.7 p -107.06 131.4 54.13 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 173.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -145.74 112.91 6.14 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.858 0.361 . . . . 0.0 111.188 -177.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.0 t -152.25 127.14 9.62 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.91 -21.66 13.95 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.724 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.2 p -94.64 110.06 21.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.414 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.35 71.03 1.09 Allowed Glycine 0 N--CA 1.443 -0.871 0 N-CA-C 110.172 -1.171 . . . . 0.0 110.172 -171.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.5 p -52.14 -23.64 4.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 123.312 0.645 . . . . 0.0 112.606 -175.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.8 -25.9 65.31 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.656 0.265 . . . . 0.0 111.14 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -58.54 -50.31 74.25 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.737 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.585 HG23 HG22 ' A' ' 40' ' ' THR . 3.4 m -62.1 -26.44 68.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.325 -176.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -90.41 -44.19 9.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.023 -178.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.4 tpt -63.73 -41.91 97.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.256 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.13 -45.25 89.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.46 98.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.473 -178.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.418 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 3.5 pt20 -76.6 -36.48 57.48 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.318 -177.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.69 -40.84 79.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.066 0.46 . . . . 0.0 110.132 177.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.52 ' HA ' ' HB3' ' A' ' 92' ' ' ALA . 60.9 tp -63.02 -39.64 95.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.332 175.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -62.07 -40.51 96.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.086 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 23' ' ' GLN . 34.0 mmtp -62.63 -48.99 76.95 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.529 175.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.4 ' O ' ' HB3' ' A' ' 31' ' ' LYS . . . -58.87 -37.04 90.08 Favored Glycine 0 CA--C 1.517 0.159 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.394 178.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.49 -45.85 82.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.593 0.235 . . . . 0.0 110.799 178.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -69.94 -27.29 64.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.408 178.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 24.4 tptm -61.82 -40.96 97.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.077 177.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.403 ' HB2' ' ND2' ' A' ' 34' ' ' ASN . 92.4 mmm -93.89 -9.84 35.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.302 -177.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.74 58.5 3.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.981 177.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.403 ' ND2' ' HB2' ' A' ' 32' ' ' MET . 36.5 m-80 -124.42 178.33 5.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.784 0.326 . . . . 0.0 110.507 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.574 ' HG ' ' HB3' ' A' ' 2' ' ' LYS . 95.2 mt -114.87 114.1 25.07 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 175.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.8 tt -118.68 140.74 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 CA-C-O 121.554 0.692 . . . . 0.0 111.751 -172.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.944 ' HG3' HD22 ' A' ' 50' ' ' LEU . 1.3 tpmt? -116.48 100.46 7.88 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.761 -1.109 . . . . 0.0 108.424 174.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.1 p -99.96 130.65 48.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.357 0.599 . . . . 0.0 111.834 -174.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.535 ' CD ' HG23 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -100.28 151.85 20.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.331 176.747 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.585 HG22 HG23 ' A' ' 18' ' ' THR . 22.2 m -128.19 97.82 4.89 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.776 0.322 . . . . 0.0 110.461 -177.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.618 HE22 ' HA ' ' A' ' 69' ' ' VAL . 18.6 mt-30 -94.59 107.87 19.85 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 174.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.95 -11.42 74.2 Favored Glycine 0 CA--C 1.516 0.145 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.517 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -169.24 -128.01 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 m -85.76 -5.03 59.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.439 0.637 . . . . 0.0 109.332 172.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.08 163.23 29.07 Favored Glycine 0 C--N 1.334 0.444 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.909 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.535 HG23 ' CD ' ' A' ' 39' ' ' GLU . 3.9 mp -117.14 139.21 45.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 122.011 0.124 . . . . 0.0 111.05 -173.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -104.03 -62.22 1.34 Allowed 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -80.51 -43.34 20.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.517 -172.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 69.9 107.01 0.06 Allowed 'General case' 0 C--O 1.233 0.221 0 O-C-N 124.208 0.942 . . . . 0.0 110.934 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.944 HD22 ' HG3' ' A' ' 37' ' ' LYS . 16.6 mt -81.85 104.32 12.14 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 175.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.426 ' O ' HG23 ' A' ' 55' ' ' VAL . 46.7 p -59.45 150.86 25.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.969 -175.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -55.56 -37.38 67.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.712 -178.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -69.26 -43.83 73.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.343 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -65.15 -32.21 73.79 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.033 0.444 . . . . 0.0 110.831 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.502 HG12 ' HG3' ' A' ' 74' ' ' ARG . 76.5 t -71.02 -35.91 61.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.249 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -73.19 -31.26 64.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.757 0.313 . . . . 0.0 110.606 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.3 mm -71.07 -48.69 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 174.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.506 ' HA3' HG23 ' A' ' 6' ' ' ILE . . . -61.29 138.89 47.4 Favored Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 176.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -98.8 -59.07 1.81 Allowed 'General case' 0 C--N 1.317 -0.828 0 O-C-N 122.639 -0.33 . . . . 0.0 110.843 -175.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.6 m -95.37 139.38 18.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.538 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 18.4 t -109.86 117.97 55.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.388 -179.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.55 HD11 HG22 ' A' ' 5' ' ' ILE . 2.1 mp -101.55 122.52 53.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.074 0.464 . . . . 0.0 110.148 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -107.84 106.14 16.28 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 177.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.469 ' HB1' HG23 ' A' ' 9' ' ' THR . . . -107.02 90.58 3.34 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 171.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.1 m -136.69 161.0 37.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 121.421 0.629 . . . . 0.0 112.022 -169.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -120.11 -32.7 4.11 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.0 171.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.0 t -106.61 -168.68 1.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.188 174.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -93.15 169.45 10.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.006 0.431 . . . . 0.0 111.048 -176.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.618 ' HA ' HE22 ' A' ' 41' ' ' GLN . 19.1 m -127.88 149.48 32.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.559 -172.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.514 ' HB3' HD13 ' A' ' 46' ' ' ILE . 76.0 ttt180 -94.44 -30.53 14.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.115 0.483 . . . . 0.0 110.494 175.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.55 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 51.5 m-80 -67.29 -13.46 62.01 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.715 -176.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.516 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 23.7 tptm -51.13 -31.73 20.49 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 122.914 0.486 . . . . 0.0 112.057 -176.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -52.79 -46.47 67.62 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -176.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.55 ' HG2' ' O ' ' A' ' 71' ' ' ASN . 11.8 ptp180 -75.63 -13.73 60.34 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -174.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.741 ' HZ ' HD12 ' A' ' 50' ' ' LEU . 25.6 m-85 -91.84 0.82 57.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.598 0.237 . . . . 0.0 111.471 -178.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -63.88 134.27 54.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.761 0.315 . . . . 0.0 110.673 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.27 2.45 90.36 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.275 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.737 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 25.7 mtpp -108.24 179.89 4.08 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.44 HG11 HG23 ' A' ' 103' ' ' ILE . 40.8 t -87.7 124.79 41.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -177.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.4 t -120.36 137.89 52.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.314 0.578 . . . . 0.0 111.931 -172.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -127.87 109.49 11.66 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 174.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -106.29 125.34 50.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.718 -174.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.4 m -139.77 161.81 54.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.886 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -61.17 146.08 97.95 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.495 2.13 . . . . 0.0 111.323 174.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.7 p -64.28 -23.13 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.185 0.516 . . . . 0.0 111.395 -175.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 p -75.09 -24.67 58.17 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.54 -52.98 48.59 Favored Pre-proline 0 CA--C 1.541 0.597 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 -172.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.479 ' O ' ' HB1' ' A' ' 92' ' ' ALA . 74.4 Cg_endo -71.76 1.78 5.38 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 122.237 1.958 . . . . 0.0 113.573 -172.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 67.6 mt -73.22 -44.12 56.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.188 0.518 . . . . 0.0 109.775 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -96.82 -53.79 3.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.62 175.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.755 ' HB3' ' HB3' ' A' ' 94' ' ' LYS . 22.0 m-20 -94.71 42.62 1.09 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.679 -170.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.52 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . . . -58.48 -47.45 84.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.289 0.566 . . . . 0.0 110.726 -174.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -70.73 -26.59 63.45 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.006 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.755 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 28.1 tptp -72.23 -35.98 68.99 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.564 HG21 ' O ' ' A' ' 91' ' ' ASP . 89.8 t -64.72 -40.63 89.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.393 175.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.7 -44.44 98.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.065 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -61.42 -33.46 73.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.752 178.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.81 -40.53 91.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.521 176.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.21 -43.04 96.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.956 0.408 . . . . 0.0 110.457 177.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.427 HD11 HD11 ' A' ' 103' ' ' ILE . 4.2 mm? -61.9 -31.65 71.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.792 175.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.597 ' HA ' ' HA ' ' A' ' 105' ' ' GLU . . . -68.54 -17.64 64.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.446 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.02 -15.41 41.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.571 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.44 HG23 HG11 ' A' ' 79' ' ' VAL . 31.0 pt -119.57 -18.21 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -149.9 -59.42 0.2 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.433 0.158 . . . . 0.0 110.872 -175.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.597 ' HA ' ' HA ' ' A' ' 101' ' ' ALA . 44.4 tt0 70.49 95.28 0.07 Allowed 'General case' 0 N--CA 1.468 0.468 0 O-C-N 124.038 0.836 . . . . 0.0 112.029 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 96.6 mttt . . . . . 0 C--O 1.25 1.125 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.446 173.692 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.429 ' SD ' ' HG3' ' A' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.495 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 85.6 mttt 64.22 97.48 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.843 0.714 . . . . 0.0 109.649 -173.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.74 129.99 44.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 0.0 110.317 -176.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.567 ' HZ2' HD12 ' A' ' 35' ' ' LEU . 72.2 mmtt -78.66 105.91 10.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.736 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 48.7 mt -122.33 132.39 71.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 120.983 0.421 . . . . 0.0 110.969 -175.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.693 ' HB ' HD21 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -111.39 131.94 61.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.665 176.211 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.479 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -134.48 140.2 46.04 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.903 0.382 . . . . 0.0 111.053 -175.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.7 t -122.02 117.57 52.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.198 176.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.524 HG23 ' HB2' ' A' ' 64' ' ' ALA . 21.9 p -99.84 123.75 44.43 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.471 175.211 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.603 ' HA ' ' O ' ' A' ' 41' ' ' GLN . . . -141.88 98.05 3.26 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.733 -174.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.478 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 53.6 t -137.87 107.79 6.32 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.342 177.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.07 -32.82 33.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.15 177.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 m -60.19 -46.95 87.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.742 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -129.94 86.0 0.31 Allowed Glycine 0 N--CA 1.443 -0.854 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 177.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.3 p -62.97 -29.14 46.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.661 0.267 . . . . 0.0 111.363 -176.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.94 -31.74 72.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.04 0.448 . . . . 0.0 110.463 177.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -68.11 -41.52 81.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.867 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.478 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 28.8 m -56.19 -50.81 70.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.217 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.406 ' N ' ' HD1' ' A' ' 19' ' ' TYR . 2.0 m-30 -71.07 -39.85 71.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.997 -175.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.9 ttt -66.34 -40.8 90.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.557 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.415 ' HA ' HG12 ' A' ' 89' ' ' ILE . . . -60.97 -48.61 81.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.414 ' HA ' HG11 ' A' ' 38' ' ' VAL . . . -56.73 -41.28 77.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -71.14 -48.4 52.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.104 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.85 -39.14 93.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.038 0.447 . . . . 0.0 111.076 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.7 tp -64.97 -39.29 93.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.587 177.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -70.1 -28.99 65.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.437 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -65.81 -42.39 90.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.692 176.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.86 -39.46 96.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.736 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.62 -37.83 87.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.501 0.191 . . . . 0.0 110.554 176.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -66.47 -38.34 87.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.821 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -65.99 -53.88 33.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.308 0.575 . . . . 0.0 110.622 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.3 mmt -73.72 -29.0 62.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.243 -177.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.04 57.55 1.3 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.434 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -128.32 170.89 12.55 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.567 HD12 ' HZ2' ' A' ' 4' ' ' LYS . 79.0 mt -116.03 109.45 17.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.951 0.405 . . . . 0.0 110.035 178.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.464 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 16.3 tt -119.78 141.85 38.01 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.787 -176.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.41 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 15.5 mmtp -115.16 104.55 11.97 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.53 176.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 15.6 t -101.94 121.15 52.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.094 -176.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 40.1 tt0 -94.42 140.63 29.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.586 177.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.0 p -110.79 106.96 16.31 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.999 0.428 . . . . 0.0 110.311 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.603 ' O ' ' HA ' ' A' ' 10' ' ' ALA . 6.5 tt0 -118.3 101.15 7.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.434 -175.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.92 -76.83 1.25 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.367 -0.92 . . . . 0.0 111.91 -177.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.473 ' C ' ' H ' ' A' ' 45' ' ' GLY . . . -143.06 93.7 2.53 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.8 p 59.59 -5.7 0.07 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.521 1.129 . . . . 0.0 113.597 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.473 ' H ' ' C ' ' A' ' 43' ' ' ALA . . . -99.88 113.89 4.85 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 176.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.7 mm -97.81 115.56 38.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 120.429 0.157 . . . . 0.0 111.132 -173.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -109.75 132.74 53.87 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 173.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.438 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 6.8 t30 63.9 71.33 0.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 O-C-N 124.221 0.95 . . . . 0.0 109.3 -171.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.06 110.82 1.94 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.865 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.693 HD21 ' HB ' ' A' ' 6' ' ' ILE . 12.8 tp -77.37 99.77 5.69 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-O 121.3 0.571 . . . . 0.0 109.954 -178.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.456 ' O ' HG22 ' A' ' 55' ' ' VAL . 13.5 t -82.6 168.33 17.43 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.441 -170.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -55.16 -38.85 68.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.207 -173.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.418 ' O ' HG12 ' A' ' 57' ' ' ILE . 72.8 mmtt -56.87 -49.26 76.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.543 0.211 . . . . 0.0 111.136 -179.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -65.89 -42.19 90.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.07 0.462 . . . . 0.0 110.693 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.708 HG11 ' HG3' ' A' ' 74' ' ' ARG . 59.7 t -66.4 -39.03 83.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.012 -175.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -73.12 -34.16 65.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.528 0.204 . . . . 0.0 111.021 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 53' ' ' LYS . 37.6 mm -72.82 -48.97 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.747 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.57 135.08 41.66 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.786 178.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.61 -43.75 7.44 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 122.514 -0.403 . . . . 0.0 111.517 -175.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.451 HG21 HG21 ' A' ' 5' ' ' ILE . 14.0 m -103.56 136.02 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.112 0.482 . . . . 0.0 110.91 179.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.573 HG22 HD13 ' A' ' 6' ' ' ILE . 11.8 t -110.23 135.76 48.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.004 -178.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.8 mt -115.86 117.9 57.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 120.978 0.418 . . . . 0.0 110.243 176.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -104.1 94.42 5.37 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.364 176.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.524 ' HB2' HG23 ' A' ' 9' ' ' THR . . . -95.59 91.44 6.14 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 172.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.1 m -132.79 -175.44 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 121.723 0.773 . . . . 0.0 112.572 -168.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -153.62 -34.7 0.11 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.185 -1.371 . . . . 0.0 108.406 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.4 t -110.03 -172.15 1.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.548 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -77.05 152.8 34.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.076 0.465 . . . . 0.0 111.339 -177.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.6 t -115.46 134.12 59.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.65 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -84.81 -43.98 13.69 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.953 0.406 . . . . 0.0 111.047 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.476 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 92.0 m-20 -75.17 -5.62 45.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.436 -173.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.571 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 0.1 OUTLIER -53.43 -23.44 9.94 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.786 0.327 . . . . 0.0 111.055 178.275 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.425 ' N ' ' HD2' ' A' ' 72' ' ' LYS . 5.7 pt-20 -44.1 -43.53 6.98 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.758 176.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.708 ' HG3' HG11 ' A' ' 55' ' ' VAL . 7.0 ptp180 -81.78 -29.74 32.62 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -177.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.666 ' HZ ' HD22 ' A' ' 50' ' ' LEU . 55.4 m-85 -81.47 -23.03 37.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.701 0.286 . . . . 0.0 110.609 -178.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -63.0 121.28 13.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.915 175.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.58 -5.23 40.45 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -174.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 25.3 mtpp -109.31 -175.34 2.73 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 175.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.2 t -94.85 108.25 20.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 -177.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.531 HG13 ' HB ' ' A' ' 61' ' ' VAL . 1.4 m -123.9 152.68 29.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.313 0.577 . . . . 0.0 111.499 -175.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.8 tp -116.25 129.76 56.44 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.033 171.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -110.85 109.24 19.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.844 0.354 . . . . 0.0 110.774 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 19.6 m -125.93 163.17 41.1 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.702 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -62.5 144.27 94.37 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.34 2.027 . . . . 0.0 111.488 174.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.487 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 14.4 p -59.53 -33.52 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -176.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.7 m -74.21 -19.32 60.57 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -178.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.13 -53.95 37.06 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -174.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -68.74 -3.68 11.74 Favored 'Trans proline' 0 C--N 1.359 1.114 0 C-N-CA 122.471 2.114 . . . . 0.0 113.28 -176.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.415 HG12 ' HA ' ' A' ' 21' ' ' ALA . 68.6 mt -67.37 -45.47 85.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 174.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -96.33 -53.82 3.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.935 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.57 ' O ' HG21 ' A' ' 95' ' ' VAL . 11.5 m-20 -90.86 39.73 1.0 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.545 -173.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.39 -50.2 65.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.598 -176.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -60.63 -38.98 86.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -177.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -72.79 -35.91 67.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.167 -176.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.57 HG21 ' O ' ' A' ' 91' ' ' ASP . 67.1 t -64.67 -41.43 92.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.194 176.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.12 -46.93 95.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.588 177.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -66.73 -31.24 71.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.976 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.06 -37.29 83.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.899 178.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.7 -40.54 97.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.285 0.564 . . . . 0.0 110.109 176.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 83.5 mt -69.96 -29.85 67.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.391 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.14 -16.75 64.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.245 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 74.5 mt -84.03 -26.73 28.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.314 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.407 HG13 ' N ' ' A' ' 104' ' ' ASP . 21.3 pt -105.32 -48.7 9.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.361 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.559 ' HB3' ' HD3' ' A' ' 106' ' ' LYS . 14.9 m-20 -84.32 -32.53 24.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.785 0.326 . . . . 0.0 110.303 -177.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 56.9 31.37 19.59 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.301 -174.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.559 ' HD3' ' HB3' ' A' ' 104' ' ' ASP . 58.2 mtpt . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.402 -0.809 . . . . 0.0 110.363 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 59.2 mtmt 60.77 37.12 19.02 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.536 0.684 . . . . 0.0 110.456 -178.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.575 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 18.9 tpp180 -61.66 125.54 24.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.691 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -80.7 113.59 19.0 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.9 mt -124.79 139.53 50.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.94 -177.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.614 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -119.82 136.8 55.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 170.898 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.557 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -143.94 145.13 32.05 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.813 0.34 . . . . 0.0 111.006 -175.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.0 t -118.51 121.01 66.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.5 p -107.63 115.19 29.71 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.812 177.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.53 ' HB3' ' HB3' ' A' ' 41' ' ' GLN . . . -138.03 146.75 43.43 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.77 0.319 . . . . 0.0 111.191 -175.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.979 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 38.6 t -163.06 134.31 4.88 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 176.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.22 -32.18 10.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.007 0.432 . . . . 0.0 110.192 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.7 p -70.62 -52.05 23.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.546 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -119.39 100.23 0.79 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.532 -177.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.0 t -58.4 -43.32 86.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.804 0.335 . . . . 0.0 111.223 -178.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.58 -30.71 69.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.351 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 56.9 m170 -65.17 -40.56 94.47 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.123 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.9 m -56.78 -42.75 79.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.067 178.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -78.56 -44.68 23.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.112 -175.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.9 tpt -60.03 -43.41 95.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.649 0.261 . . . . 0.0 111.024 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.38 -44.78 95.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.481 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.62 -40.12 92.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.065 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -65.89 -47.05 76.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.9 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.63 -44.08 97.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.964 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.0 mt -63.05 -43.6 98.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.425 178.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -64.94 -31.46 72.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.363 . . . . 0.0 110.84 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 27' ' ' LYS . 13.4 mmmm -76.31 -48.04 21.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.756 0.312 . . . . 0.0 110.196 175.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.421 ' O ' ' HB3' ' A' ' 31' ' ' LYS . . . -57.27 -32.84 64.19 Favored Glycine 0 CA--C 1.517 0.212 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.94 179.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.49 -52.04 67.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.788 0.328 . . . . 0.0 110.982 175.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -68.78 -26.3 65.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.827 0.346 . . . . 0.0 110.673 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.421 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 26.5 tptp -62.59 -36.24 82.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.262 176.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.7 mtt -101.0 1.57 39.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.457 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.02 42.9 83.82 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 116.046 -0.524 . . . . 0.0 112.912 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.575 ' HB2' ' O ' ' A' ' 3' ' ' ARG . 10.7 p30 -122.77 174.74 6.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.055 0.455 . . . . 0.0 111.069 177.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.8 mp -116.19 113.12 22.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.172 -176.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.9 tt -113.14 143.57 22.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.439 0.638 . . . . 0.0 111.239 -175.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.7 ' HB3' HD23 ' A' ' 50' ' ' LEU . 19.7 mmtm -115.79 104.37 11.59 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.124 -0.944 . . . . 0.0 108.515 170.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.557 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 7.5 p -108.64 125.88 65.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.094 0.473 . . . . 0.0 111.182 -177.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.862 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 40.1 tt0 -95.79 110.93 23.01 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.535 177.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.801 ' HB ' ' HB3' ' A' ' 47' ' ' GLU . 2.8 m -81.18 98.8 8.23 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.598 177.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.53 ' HB3' ' HB3' ' A' ' 10' ' ' ALA . 1.2 tm0? -92.08 101.33 13.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.327 0.584 . . . . 0.0 109.716 -178.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.71 55.48 4.85 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.805 -175.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 65.2 83.67 0.16 Allowed 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 123.027 0.531 . . . . 0.0 109.954 -178.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.5 m 76.18 -33.91 0.22 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.36 -178.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.36 158.31 43.56 Favored Glycine 0 C--O 1.227 -0.282 0 C-N-CA 121.05 -0.595 . . . . 0.0 111.647 176.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.6 mm -128.47 131.1 69.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 117.072 0.436 . . . . 0.0 111.027 -175.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.801 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 31.0 tt0 -94.24 -36.6 11.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.699 0.285 . . . . 0.0 111.335 177.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -145.65 96.86 2.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.693 -0.231 . . . . 0.0 110.817 -172.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -57.32 134.09 55.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.014 0.435 . . . . 0.0 111.452 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.862 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 33.8 mt -91.06 102.81 15.57 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.66 172.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.74 153.65 43.25 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.733 -174.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -58.26 -41.54 84.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.183 -174.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -58.06 -47.25 83.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.31 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.82 -35.53 81.41 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 120.789 0.328 . . . . 0.0 111.065 -176.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.81 HG11 ' HG3' ' A' ' 74' ' ' ARG . 98.3 t -65.55 -43.55 94.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.25 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -68.95 -32.93 72.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.302 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 77.0 mt -75.53 -42.99 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.498 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.03 140.84 48.09 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.776 -0.647 . . . . 0.0 113.09 179.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -83.68 -72.11 0.47 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.094 0.473 . . . . 0.0 110.624 -178.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 28.0 m -98.71 146.39 8.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.122 -176.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.622 ' HB ' HG13 ' A' ' 80' ' ' VAL . 17.2 t -111.03 121.22 63.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.699 177.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.4 mt -100.44 119.41 48.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.243 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -105.38 104.46 14.19 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.641 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.668 ' HB2' ' HA ' ' A' ' 85' ' ' VAL . . . -108.69 89.51 3.02 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 169.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.502 HG12 ' HB1' ' A' ' 10' ' ' ALA . 17.1 m -134.68 140.97 44.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.586 0.708 . . . . 0.0 112.348 -168.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.979 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 16.7 t70 -105.07 1.56 28.62 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.461 -1.245 . . . . 0.0 109.084 173.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.429 ' O ' ' HB ' ' A' ' 65' ' ' VAL . 11.5 t -153.43 172.09 17.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.053 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -73.93 175.64 7.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.936 0.398 . . . . 0.0 110.488 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.0 m -132.66 174.66 12.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.99 0.424 . . . . 0.0 111.442 -174.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -93.44 -46.88 7.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.997 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.523 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 93.9 m-20 -76.29 -4.27 41.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.895 -169.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -47.11 -26.06 1.01 Allowed 'General case' 0 N--CA 1.471 0.609 0 O-C-N 123.224 0.328 . . . . 0.0 111.273 176.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -46.28 -53.38 10.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.231 176.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.81 ' HG3' HG11 ' A' ' 55' ' ' VAL . 10.5 ptp180 -87.93 -25.87 22.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.05 -172.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.472 ' HE1' HG13 ' A' ' 6' ' ' ILE . 26.1 m-85 -74.64 -19.57 60.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.847 0.356 . . . . 0.0 110.964 178.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -67.65 115.99 7.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.896 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.5 -13.87 32.88 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 -176.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -97.66 178.91 5.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.738 0.304 . . . . 0.0 110.33 178.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 67.1 t -90.4 108.28 19.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.128 -177.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.622 HG13 ' HB ' ' A' ' 61' ' ' VAL . 1.3 m -122.58 154.4 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.112 0.482 . . . . 0.0 111.27 -178.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.0 tp -117.02 121.42 41.3 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.301 173.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -105.3 100.02 9.62 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.084 0.468 . . . . 0.0 110.762 -176.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.1 m -123.75 164.36 29.32 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.76 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.69 153.18 76.77 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.456 2.104 . . . . 0.0 112.03 176.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.668 ' HA ' ' HB2' ' A' ' 64' ' ' ALA . 15.0 p -63.19 -23.66 33.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.131 0.491 . . . . 0.0 111.597 -177.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.9 m -73.91 -19.52 60.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.702 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.14 -57.8 16.73 Favored Pre-proline 0 CA--C 1.534 0.358 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -174.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.433 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 38.3 Cg_endo -65.23 -18.3 60.62 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.227 1.951 . . . . 0.0 112.93 -175.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 69.6 mt -66.11 -42.43 91.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.338 0.59 . . . . 0.0 110.342 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -96.26 -45.1 6.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.042 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.808 ' HB3' ' HB2' ' A' ' 94' ' ' LYS . 19.6 m-20 -112.79 42.37 1.88 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.921 -170.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.68 ' O ' HG13 ' A' ' 95' ' ' VAL . . . -53.38 -44.03 68.29 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -178.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -69.47 -30.9 68.89 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.652 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.808 ' HB2' ' HB3' ' A' ' 91' ' ' ASP . 0.8 OUTLIER -73.87 -43.11 59.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.041 0.448 . . . . 0.0 110.154 -179.769 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.68 HG13 ' O ' ' A' ' 92' ' ' ALA . 4.1 p -63.2 -37.44 79.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.37 -177.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.517 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 75.3 mt -65.25 -51.48 64.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.46 176.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -59.35 -41.19 88.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.961 0.41 . . . . 0.0 111.0 177.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.2 89.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.051 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.04 -38.33 85.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.407 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 71.5 mt -67.26 -31.71 72.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.646 178.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.7 -23.55 66.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.198 177.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.23 -29.03 66.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.578 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 35.0 pt -101.21 6.34 9.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.304 0.573 . . . . 0.0 109.576 172.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 22.4 t70 59.72 40.53 19.65 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.964 178.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 56.09 63.76 1.92 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.057 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.411 ' HE3' ' HB3' ' A' ' 106' ' ' LYS . 12.6 ttpp . . . . . 0 C--O 1.248 1.015 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.768 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.8 mmt . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.511 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -70.94 92.51 0.92 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.749 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -74.79 146.88 41.73 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 -178.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.779 ' HB2' ' HG3' ' A' ' 59' ' ' GLU . 39.5 mmtm -96.66 118.73 33.76 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -176.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.569 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 62.1 mt -134.9 138.35 49.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.923 0.392 . . . . 0.0 110.884 -177.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.69 HD12 HG23 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -122.89 136.36 59.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 171.599 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -135.97 143.92 45.11 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.663 -175.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.466 ' HB ' ' CD1' ' A' ' 63' ' ' PHE . 58.4 t -122.58 132.3 71.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 177.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.574 HG22 ' HB1' ' A' ' 64' ' ' ALA . 17.3 p -116.62 128.14 55.11 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.089 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.13 96.42 1.32 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.761 0.315 . . . . 0.0 111.495 -176.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.701 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 46.9 t -118.09 129.63 55.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.72 0.295 . . . . 0.0 110.272 178.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.36 -16.44 22.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.939 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.1 m -69.58 -51.93 30.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.176 0.512 . . . . 0.0 110.3 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.48 112.56 0.65 Allowed Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.702 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.0 m -62.51 -28.13 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -176.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.69 -34.01 75.0 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.996 0.427 . . . . 0.0 110.851 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -70.99 -33.59 70.56 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.276 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.578 HG22 HG23 ' A' ' 40' ' ' THR . 15.8 m -63.17 -43.23 98.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.8 179.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -65.32 -40.53 93.86 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.82 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.457 ' HA ' ' HG2' ' A' ' 23' ' ' GLN . 24.7 ttt -75.06 -37.89 61.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.564 -175.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.92 -39.43 85.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.968 0.413 . . . . 0.0 110.45 178.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.98 -47.79 76.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.254 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.457 ' HG2' ' HA ' ' A' ' 20' ' ' MET . 2.6 pt20 -72.47 -29.72 63.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.086 -176.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.425 ' O ' ' HB3' ' A' ' 27' ' ' LYS . . . -74.07 -40.41 62.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.783 0.325 . . . . 0.0 110.737 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.9 mt -63.07 -42.8 99.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.573 174.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -65.31 -34.79 79.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.844 177.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 24' ' ' ALA . 24.1 tttm -56.99 -55.79 30.07 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.953 173.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.53 -40.4 99.07 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.624 -176.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.55 -48.53 74.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.616 0.246 . . . . 0.0 111.094 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -69.76 -25.54 63.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.5 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -60.36 -32.52 71.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.319 0.581 . . . . 0.0 110.164 174.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.529 ' HB2' ' ND2' ' A' ' 34' ' ' ASN . 86.9 mmm -100.11 4.92 44.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.423 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.446 ' O ' ' HG3' ' A' ' 2' ' ' LYS . . . 71.45 28.01 70.39 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.743 -0.662 . . . . 0.0 113.034 178.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.529 ' ND2' ' HB2' ' A' ' 32' ' ' MET . 86.8 m-20 -88.42 169.45 11.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.244 0.545 . . . . 0.0 111.526 -176.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.511 ' HG ' ' HB3' ' A' ' 2' ' ' LYS . 72.3 mt -110.19 119.03 37.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.475 -0.784 . . . . 0.0 108.916 178.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.569 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 16.5 tt -136.57 139.28 45.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.184 0.516 . . . . 0.0 111.751 -172.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -116.09 109.71 17.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.567 173.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.9 t -101.54 119.02 49.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.062 -176.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.443 ' HB3' HG23 ' A' ' 8' ' ' VAL . 35.8 tt0 -94.49 153.36 17.95 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.071 174.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.578 HG23 HG22 ' A' ' 18' ' ' THR . 61.6 m -132.06 131.91 42.86 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.769 176.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.508 ' HG3' HG12 ' A' ' 46' ' ' ILE . 1.6 tm0? -129.06 131.48 47.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.918 0.39 . . . . 0.0 110.082 -179.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -106.03 69.6 0.23 Allowed Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.173 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 73.95 -42.12 0.5 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.708 0.803 . . . . 0.0 112.138 174.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.2 t -149.85 -21.01 0.26 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.049 0.452 . . . . 0.0 110.605 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.47 111.13 4.15 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.593 -0.813 . . . . 0.0 111.444 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.508 HG12 ' HG3' ' A' ' 41' ' ' GLN . 44.6 mt -91.72 127.0 44.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 -178.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -73.37 -63.57 1.16 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.993 0.425 . . . . 0.0 111.332 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.416 ' HB3' ' HG3' ' A' ' 39' ' ' GLU . 47.7 t30 -87.4 -52.72 5.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.673 -174.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 64.75 83.93 0.16 Allowed 'General case' 0 C--O 1.233 0.22 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -170.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.605 HD21 ' HB ' ' A' ' 6' ' ' ILE . 11.9 tp -65.09 110.5 2.53 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.952 -172.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.9 p -68.35 163.89 22.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.853 -175.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -62.83 -35.52 80.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.5 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.512 ' O ' HG13 ' A' ' 57' ' ' ILE . 67.8 mttm -63.79 -42.42 97.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.098 179.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -66.29 -46.85 75.56 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.448 0.642 . . . . 0.0 109.95 175.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 1.048 HG11 ' HB3' ' A' ' 74' ' ' ARG . 29.6 t -56.73 -47.06 83.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.835 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -71.98 -8.99 57.69 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -175.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 53' ' ' LYS . 78.2 mt -81.92 -49.51 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 172.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.53 ' HA3' HG23 ' A' ' 6' ' ' ILE . . . -65.63 138.94 38.48 Favored Glycine 0 C--N 1.331 0.254 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.749 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.779 ' HG3' ' HB2' ' A' ' 4' ' ' LYS . 27.3 mt-10 -89.03 -63.29 1.31 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.976 0.417 . . . . 0.0 110.275 -178.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.3 m -95.99 147.96 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.999 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.69 HG23 HD12 ' A' ' 6' ' ' ILE . 19.9 t -116.26 129.96 71.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.408 -178.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.7 mt -115.95 124.45 72.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.256 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.625 ' HB2' ' HG2' ' A' ' 82' ' ' GLU . 45.6 m-85 -108.42 107.75 18.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.906 176.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.606 ' HB3' ' HG3' ' A' ' 88' ' ' PRO . . . -96.89 89.59 4.92 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 168.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.7 m -138.23 154.44 27.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 121.705 0.764 . . . . 0.0 112.668 -167.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.701 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 19.3 t70 -113.42 -27.22 7.99 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.082 -1.417 . . . . 0.0 108.476 170.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.4 t -121.03 174.84 6.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.936 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.9 167.61 14.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.77 0.319 . . . . 0.0 110.769 -176.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.8 m -131.57 168.74 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.136 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.509 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 40.9 ttm180 -92.86 -46.52 7.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.812 0.339 . . . . 0.0 111.423 179.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -65.99 -5.73 10.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.926 -172.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.499 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 55.0 tttp -46.95 -27.91 1.44 Allowed 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.43 172.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 18.6 mt-10 -46.77 -52.71 13.46 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.645 0.736 . . . . 0.0 110.929 177.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 1.048 ' HB3' HG11 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -59.3 -33.98 71.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.613 -1.176 . . . . 0.0 112.911 -175.514 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.499 ' HD2' ' HA ' ' A' ' 72' ' ' LYS . 21.1 m-85 -83.93 -9.42 58.71 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.768 -171.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -63.36 -30.17 71.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.154 0.502 . . . . 0.0 110.621 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -80.67 -8.05 87.92 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.781 -0.645 . . . . 0.0 113.112 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.443 ' HZ2' ' HG2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -121.33 -154.68 0.6 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.735 0.268 . . . . 0.0 110.879 -178.212 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.676 HG13 ' HB3' ' A' ' 102' ' ' LEU . 45.5 t -110.95 126.73 68.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.661 0.267 . . . . 0.0 110.294 -175.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 62.1 t -119.25 138.31 50.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.303 -174.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -128.74 101.42 6.11 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 174.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.625 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 44.6 mt-10 -91.9 141.63 28.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.047 -177.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.0 m -139.91 162.5 50.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.612 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.05 147.17 91.52 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.25 1.967 . . . . 0.0 110.473 170.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.49 HG21 ' HB2' ' A' ' 11' ' ' CYS . 10.7 p -63.84 -28.25 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 -172.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.8 p -75.31 -24.2 57.43 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.419 ' N ' ' HD2' ' A' ' 88' ' ' PRO . . . -61.39 -53.5 61.66 Favored Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -173.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.606 ' HG3' ' HB3' ' A' ' 64' ' ' ALA . 40.8 Cg_endo -65.63 -6.27 13.46 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 122.255 1.97 . . . . 0.0 113.235 -176.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 67.0 mt -80.88 -42.14 20.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.145 0.497 . . . . 0.0 110.204 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -96.44 -24.77 15.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.612 -178.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.564 ' O ' HG23 ' A' ' 95' ' ' VAL . 14.8 t70 -125.04 27.41 6.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.238 -168.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 88' ' ' PRO . . . -52.67 -52.89 53.89 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -172.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -63.43 -37.55 87.7 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.776 0.322 . . . . 0.0 111.336 -177.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.421 ' HB3' ' CG ' ' A' ' 91' ' ' ASP . 28.8 tptp -73.39 -39.54 65.03 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.21 -176.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 91' ' ' ASP . 85.4 t -61.94 -42.75 95.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.722 176.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.571 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 75.9 mt -64.36 -43.58 97.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.985 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -67.66 -29.19 68.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 177.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.31 -43.38 70.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.41 176.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.79 -37.44 79.1 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.405 176.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 92.3 mt -62.3 -29.07 70.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.998 178.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.509 ' O ' ' HA ' ' A' ' 105' ' ' GLU . . . -66.32 -16.05 63.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.813 0.34 . . . . 0.0 111.457 -179.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.676 ' HB3' HG13 ' A' ' 79' ' ' VAL . 4.1 mm? -83.32 -30.23 27.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.735 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 25.6 pt -107.28 -40.26 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 120.757 0.313 . . . . 0.0 111.776 -178.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.649 ' HB3' ' HE2' ' A' ' 106' ' ' LYS . 1.1 m-20 -83.85 -32.34 25.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.168 177.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.509 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 44.6 mt-10 64.81 14.54 9.25 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.166 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.649 ' HE2' ' HB3' ' A' ' 104' ' ' ASP . 43.0 mtmt . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.59 -0.719 . . . . 0.0 110.389 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.8 ttm . . . . . 0 N--CA 1.484 1.244 0 CA-C-O 120.432 0.158 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp 58.85 34.43 23.68 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.23 0.538 . . . . 0.0 111.607 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.653 ' HE ' ' HG3' ' A' ' 59' ' ' GLU . 13.8 tpt180 -94.87 145.6 24.79 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 177.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.534 ' HD2' ' HB2' ' A' ' 35' ' ' LEU . 14.6 mmmm -81.82 123.56 28.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.982 0.42 . . . . 0.0 110.74 -178.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.417 HG21 HG23 ' A' ' 60' ' ' VAL . 66.2 mt -122.1 131.97 72.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.922 177.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.637 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -105.26 126.58 60.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 174.39 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.534 ' HA ' ' O ' ' A' ' 62' ' ' ILE . . . -135.89 140.96 44.49 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.57 -177.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.503 HG23 ' HB3' ' A' ' 39' ' ' GLU . 53.3 t -124.97 124.77 68.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.071 0.463 . . . . 0.0 111.019 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.638 HG22 ' HB3' ' A' ' 64' ' ' ALA . 29.1 p -107.64 112.39 25.08 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 174.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.514 ' HB2' HG13 ' A' ' 65' ' ' VAL . . . -131.09 97.21 4.23 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.932 0.396 . . . . 0.0 111.427 -173.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.802 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 47.0 t -112.91 130.45 56.11 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.516 ' HB3' ' HB ' ' A' ' 67' ' ' THR . . . -92.62 -56.84 2.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.912 0.387 . . . . 0.0 110.398 -178.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.0 p -98.64 106.07 18.3 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.255 177.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.85 69.65 0.48 Allowed Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -175.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 m -63.22 -18.27 21.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -176.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.99 -34.52 68.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.011 0.434 . . . . 0.0 110.314 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -64.95 -39.14 93.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.204 177.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.541 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 2.2 m -56.17 -50.73 70.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.435 -177.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -80.1 -35.99 36.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.206 -176.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.7 tpt -68.35 -42.43 79.25 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.619 -0.433 . . . . 0.0 111.185 -177.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.3 -44.49 95.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.702 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.67 99.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.158 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -66.34 -49.26 67.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.33 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.7 -42.74 90.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.986 0.422 . . . . 0.0 111.094 -177.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.7 tp -61.76 -47.11 86.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.948 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -64.61 -41.04 96.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.663 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -66.73 -37.9 85.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.37 -38.4 94.92 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.879 -0.676 . . . . 0.0 112.096 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.477 ' HA ' HD13 ' A' ' 96' ' ' ILE . . . -71.24 -39.19 71.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.74 0.305 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -69.65 -25.78 64.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.491 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -60.8 -27.88 68.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.171 0.51 . . . . 0.0 110.325 176.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.5 mmt -99.82 12.14 37.47 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.68 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.03 55.11 29.96 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.538 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -122.92 167.09 14.01 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.719 0.295 . . . . 0.0 110.583 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.534 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 91.9 mt -112.94 94.16 4.77 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.3 tt -105.31 143.05 17.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.708 -176.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.413 ' HB3' HD21 ' A' ' 50' ' ' LEU . 61.1 mmtt -115.51 105.17 12.49 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.163 174.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.9 t -97.09 120.87 46.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.644 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.63 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 35.3 tt0 -95.66 134.6 38.38 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 176.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.93 ' HB ' ' HB2' ' A' ' 47' ' ' GLU . 13.7 m -112.89 93.31 4.36 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 120.978 0.418 . . . . 0.0 110.329 -176.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.482 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 53.0 tt0 -90.19 106.44 18.49 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.212 0.53 . . . . 0.0 110.69 -177.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.33 68.98 3.22 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.273 176.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.499 ' HA ' HG23 ' A' ' 67' ' ' THR . . . 70.82 -77.09 0.06 Allowed 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 123.546 0.739 . . . . 0.0 111.051 179.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.7 m -106.0 -28.67 10.41 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.903 0.383 . . . . 0.0 110.557 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -87.05 159.42 31.27 Favored Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 -177.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 77.0 mt -131.3 115.56 29.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 117.006 0.403 . . . . 0.0 111.311 -176.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.93 ' HB2' ' HB ' ' A' ' 40' ' ' THR . 60.8 mm-40 -84.66 140.98 30.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.779 172.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.435 ' HB3' ' O ' ' A' ' 47' ' ' GLU . 37.4 t30 76.18 -62.21 0.43 Allowed 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.971 0.795 . . . . 0.0 111.358 176.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 66.6 110.42 0.04 OUTLIER 'General case' 0 C--O 1.235 0.33 0 O-C-N 123.749 0.656 . . . . 0.0 110.953 -177.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.63 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 65.4 mt -64.74 119.79 11.25 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.343 -176.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.39 147.99 48.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.344 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -57.04 -41.28 78.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.597 -177.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -60.36 -41.48 93.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.168 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -72.16 -38.57 69.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.095 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.495 ' HA ' HG21 ' A' ' 6' ' ' ILE . 57.3 t -61.75 -45.06 99.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.643 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -75.08 -28.11 60.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.787 -175.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.2 mm -87.35 -29.49 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.948 0.404 . . . . 0.0 110.637 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.01 130.31 50.83 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.385 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.653 ' HG3' ' HE ' ' A' ' 3' ' ' ARG . 7.2 mm-40 -81.43 -72.5 0.42 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.113 0.482 . . . . 0.0 110.983 -177.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.701 ' HA ' HG12 ' A' ' 79' ' ' VAL . 22.2 m -95.14 144.27 10.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.644 -176.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.551 HG21 HD12 ' A' ' 6' ' ' ILE . 11.6 t -110.23 118.8 57.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.954 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.534 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 77.6 mt -108.2 133.79 52.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.463 -178.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.572 ' HB2' ' HG3' ' A' ' 82' ' ' GLU . 79.5 m-85 -123.51 134.29 53.9 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.96 0.41 . . . . 0.0 110.902 176.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.638 ' HB3' HG22 ' A' ' 9' ' ' THR . . . -129.74 92.12 3.27 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 172.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.514 HG13 ' HB2' ' A' ' 10' ' ' ALA . 28.4 m -130.99 150.51 34.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -166.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.802 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 7.0 t70 -106.17 -31.35 8.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 113.983 -1.462 . . . . 0.0 108.805 173.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.516 ' HB ' ' HB3' ' A' ' 12' ' ' ALA . 15.0 t -118.09 -171.55 2.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.174 178.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -78.66 167.22 21.55 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.355 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.748 ' HB ' ' HB2' ' A' ' 72' ' ' LYS . 18.1 t -114.0 140.03 36.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -177.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -81.75 -56.84 3.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.247 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.502 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 89.2 m-20 -74.69 -7.13 52.32 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -175.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.748 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 85.6 tttt -52.86 -27.38 18.16 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.928 0.395 . . . . 0.0 111.323 179.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -52.1 -34.44 44.12 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -178.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.502 ' HG2' ' O ' ' A' ' 71' ' ' ASN . 9.9 ptp180 -81.37 -7.58 59.6 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -175.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.605 ' CE1' HG13 ' A' ' 6' ' ' ILE . 30.9 m-85 -98.16 20.99 11.46 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 122.199 -0.313 . . . . 0.0 110.776 177.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -56.34 -42.0 77.02 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.614 -175.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -104.73 15.42 48.92 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.771 -178.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.559 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 26.2 mtpp -107.29 162.35 13.98 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -177.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.701 HG12 ' HA ' ' A' ' 60' ' ' VAL . 3.2 p -74.44 117.03 17.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.289 0.566 . . . . 0.0 110.656 -175.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 85.1 t -108.88 121.53 62.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.841 -172.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.617 HD22 HD11 ' A' ' 102' ' ' LEU . 3.2 tm? -119.02 109.45 15.95 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 173.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.572 ' HG3' ' HB2' ' A' ' 63' ' ' PHE . 34.4 tt0 -115.17 132.08 56.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.11 -174.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 24.2 m -135.14 167.28 23.45 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.911 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -61.06 153.1 66.73 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.473 2.115 . . . . 0.0 111.529 174.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.627 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 9.0 p -66.74 -24.26 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.132 0.492 . . . . 0.0 111.255 -174.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 p -75.45 -22.81 57.01 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.61 -52.24 45.06 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -171.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -69.54 -3.7 12.38 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.133 1.888 . . . . 0.0 113.458 -173.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 64.2 mt -72.58 -44.48 60.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.411 0.624 . . . . 0.0 109.7 176.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -97.25 -49.42 4.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.151 177.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.582 ' O ' HG21 ' A' ' 95' ' ' VAL . 5.1 m-20 -95.66 36.35 1.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.961 -171.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.15 -49.17 67.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.595 0.236 . . . . 0.0 111.299 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -64.92 -36.06 83.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.809 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.555 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 17.7 tppt? -65.9 -45.09 83.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.132 -179.14 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.582 HG21 ' O ' ' A' ' 91' ' ' ASP . 57.8 t -61.31 -45.19 99.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.842 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.477 HD13 ' HA ' ' A' ' 29' ' ' ALA . 79.5 mt -64.15 -50.56 76.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.742 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -59.72 -41.78 91.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.036 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.539 ' O ' ' HG ' ' A' ' 102' ' ' LEU . . . -60.71 -39.49 88.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.074 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.25 -48.93 77.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.805 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.17 -31.37 71.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.031 0.443 . . . . 0.0 110.735 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.887 ' HA ' ' HA ' ' A' ' 105' ' ' GLU . . . -66.45 -17.85 65.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.624 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.617 HD11 HD22 ' A' ' 81' ' ' LEU . 85.4 mt -80.04 -19.32 47.89 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.703 0.287 . . . . 0.0 111.373 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 28.4 pt -117.29 -41.13 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -177.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -119.1 -21.75 7.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.604 0.24 . . . . 0.0 111.5 -175.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.887 ' HA ' ' HA ' ' A' ' 101' ' ' ALA . 39.2 mt-10 66.91 87.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.576 -176.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.453 ' HA ' ' HD2' ' A' ' 106' ' ' LYS . 7.6 tptp . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.203 -0.903 . . . . 0.0 109.771 172.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.3 ttm . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.831 0.348 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.597 ' HE2' HD23 ' A' ' 35' ' ' LEU . 56.3 mtpt 52.1 78.04 0.14 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.133 -175.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.445 ' HD2' ' HA ' ' A' ' 3' ' ' ARG . 13.0 tpt180 -88.18 169.45 11.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.657 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -111.26 125.99 54.41 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -178.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 66.8 mt -137.14 131.75 46.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.641 0.258 . . . . 0.0 111.314 -178.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.629 ' HB ' HD11 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -110.78 130.24 64.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 171.401 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.558 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -142.06 126.54 17.78 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.798 0.332 . . . . 0.0 111.15 -174.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.8 t -95.89 118.16 41.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.024 177.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.483 HG22 ' HB3' ' A' ' 64' ' ' ALA . 19.4 p -117.34 113.77 22.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.915 178.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.632 ' O ' ' HA ' ' A' ' 65' ' ' VAL . . . -160.04 160.66 33.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.849 0.357 . . . . 0.0 111.096 -176.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.629 ' SG ' ' HB2' ' A' ' 17' ' ' HIS . 24.9 p -157.83 142.16 16.13 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.314 178.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.518 ' HB1' ' HB ' ' A' ' 67' ' ' THR . . . -90.54 -32.46 16.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.256 0.551 . . . . 0.0 109.837 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.5 p -111.87 133.85 53.8 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.1 175.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.18 58.66 5.01 Favored Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -175.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.1 m -59.98 -16.95 12.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -169.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.46 -26.56 66.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.93 0.395 . . . . 0.0 110.909 176.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.629 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 37.0 m80 -64.64 -36.65 84.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.066 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.598 HG23 ' HA ' ' A' ' 10' ' ' ALA . 27.3 m -57.91 -37.87 74.82 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 121.096 0.474 . . . . 0.0 111.255 -177.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -90.69 -43.87 9.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.813 -174.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.4 tpt -64.67 -42.05 95.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 -178.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.482 ' HB3' ' HG2' ' A' ' 88' ' ' PRO . . . -63.51 -47.07 83.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.309 -177.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.58 -41.96 95.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.408 -178.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -71.47 -42.15 68.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.382 -178.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.66 -39.1 80.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.968 0.413 . . . . 0.0 110.382 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.5 tp -64.62 -40.21 95.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.781 175.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -59.05 -43.71 91.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.01 175.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -59.57 -47.42 85.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.62 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.74 -43.31 99.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.959 178.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.468 ' HA ' HD22 ' A' ' 34' ' ' ASN . . . -63.7 -37.88 89.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.924 0.392 . . . . 0.0 110.92 178.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -65.89 -38.92 90.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.288 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -65.58 -49.81 67.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.845 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 85.7 mtp -70.15 -24.37 63.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.539 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 2' ' ' LYS . . . 83.56 62.59 1.77 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.44 175.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.511 ' HA ' ' HA ' ' A' ' 2' ' ' LYS . 9.7 p30 -135.55 177.3 7.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.731 0.3 . . . . 0.0 110.589 176.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.597 HD23 ' HE2' ' A' ' 2' ' ' LYS . 2.8 mm? -107.47 109.96 21.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.367 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.6 tt -114.93 141.21 32.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 121.338 0.589 . . . . 0.0 111.308 -175.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.451 ' HB3' HD23 ' A' ' 50' ' ' LEU . 7.0 mmtm -115.8 101.66 9.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.391 175.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.558 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 15.2 m -93.91 127.23 46.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.111 0.481 . . . . 0.0 110.831 -179.169 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.526 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 28.5 tt0 -95.32 146.51 24.32 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.853 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.6 m -127.07 119.55 26.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.757 -174.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -124.14 136.96 54.58 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.36 -60.21 1.94 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.349 -0.929 . . . . 0.0 111.961 177.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -143.29 -39.42 0.32 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.964 0.411 . . . . 0.0 110.258 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.2 t -148.95 -18.64 0.3 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.506 175.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.79 130.05 10.12 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.015 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 68.2 mt -99.71 127.54 52.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -92.98 -54.51 3.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.485 -177.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -95.77 74.67 3.15 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -65.82 124.6 22.89 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.558 -176.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.629 HD11 ' HB ' ' A' ' 6' ' ' ILE . 73.2 mt -80.61 111.26 16.88 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 174.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.517 ' O ' HG22 ' A' ' 55' ' ' VAL . 75.9 p -91.19 173.77 7.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.511 -174.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -48.71 -46.14 40.31 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.589 0.556 . . . . 0.0 110.982 -178.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.527 ' O ' HG12 ' A' ' 57' ' ' ILE . 5.4 tmmm? -57.67 -50.52 72.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.036 -179.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -63.44 -45.05 92.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.384 0.612 . . . . 0.0 110.528 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 51' ' ' THR . 89.7 t -61.21 -42.32 92.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 114.922 -1.035 . . . . 0.0 112.13 -174.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -78.13 -20.5 51.99 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.795 0.295 . . . . 0.0 111.795 -176.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.527 HG12 ' O ' ' A' ' 53' ' ' LYS . 42.6 mm -80.52 -42.51 21.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 176.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.43 135.56 42.16 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.859 -0.61 . . . . 0.0 113.133 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -76.91 -64.58 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.231 0.539 . . . . 0.0 110.141 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.401 HG11 HD12 ' A' ' 103' ' ' ILE . 17.7 m -107.53 151.76 9.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.036 -177.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.605 ' HB ' HG11 ' A' ' 80' ' ' VAL . 8.4 t -115.04 114.42 46.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.193 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.425 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 69.8 mt -100.41 131.79 47.28 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.08 179.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -115.01 111.67 21.49 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.639 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.647 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -118.38 90.21 3.29 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 172.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.632 ' HA ' ' O ' ' A' ' 10' ' ' ALA . 12.3 m -141.32 141.07 31.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.469 0.652 . . . . 0.0 112.736 -169.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.529 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 9.8 t70 -97.33 -20.24 17.98 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.944 -1.026 . . . . 0.0 108.84 170.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.518 ' HB ' ' HB1' ' A' ' 12' ' ' ALA . 4.2 t -111.89 154.38 25.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.445 177.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -78.03 160.81 27.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.131 0.491 . . . . 0.0 110.678 -176.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.441 HG21 ' HB2' ' A' ' 72' ' ' LYS . 21.6 m -118.66 153.28 20.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.562 -178.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.514 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 15.7 ttt180 -90.99 -44.14 9.51 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.218 174.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.49 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 96.5 m-20 -60.16 -7.74 2.06 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -170.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.488 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 26.2 ttpp -51.39 -24.16 4.53 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 122.514 0.326 . . . . 0.0 110.6 174.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 12.3 mt-10 -41.16 -47.48 3.27 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.283 0.633 . . . . 0.0 111.656 175.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.513 ' HG3' HG13 ' A' ' 55' ' ' VAL . 6.4 ptp180 -87.9 -25.67 23.13 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.675 -173.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.488 ' HD2' ' HA ' ' A' ' 72' ' ' LYS . 23.8 m-85 -84.7 -10.59 57.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.679 0.276 . . . . 0.0 110.94 178.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.95 -27.51 66.85 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.57 -176.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.43 22.08 31.5 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.071 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.465 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 28.8 mtpp -122.9 178.4 5.06 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -178.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 44.8 t -90.22 111.63 23.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.605 HG11 ' HB ' ' A' ' 61' ' ' VAL . 2.4 m -117.77 161.84 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.208 0.528 . . . . 0.0 111.157 -176.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.534 HD21 HD11 ' A' ' 102' ' ' LEU . 3.1 tm? -143.43 115.49 8.36 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 176.072 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -97.16 133.52 41.69 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.99 0.424 . . . . 0.0 111.313 -176.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 12.4 m -140.01 163.28 45.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.091 177.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -60.79 146.16 97.83 Favored 'Trans proline' 0 CA--C 1.527 0.138 0 C-N-CA 122.451 2.1 . . . . 0.0 111.15 173.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.647 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 13.0 p -63.67 -26.43 40.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-O 121.032 0.444 . . . . 0.0 111.498 -176.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.7 m -74.96 -19.75 59.97 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.15 -53.65 52.51 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -174.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.556 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 41.0 Cg_endo -66.94 -6.37 15.71 Favored 'Trans proline' 0 C--N 1.357 1.014 0 C-N-CA 122.057 1.838 . . . . 0.0 113.002 -177.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 70.4 mt -72.29 -49.59 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.974 0.416 . . . . 0.0 110.134 176.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -96.4 -40.63 9.01 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.579 -178.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.446 ' O ' HG22 ' A' ' 95' ' ' VAL . 38.2 t0 -123.08 40.7 3.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.385 0.612 . . . . 0.0 111.115 -166.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 88' ' ' PRO . . . -54.43 -41.45 69.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.2 -177.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.71 -41.26 98.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.784 -174.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -69.3 -36.07 76.65 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.113 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 91' ' ' ASP . 57.7 t -61.42 -43.33 96.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.384 177.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 85.0 mt -62.9 -47.37 93.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.817 177.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -61.47 -38.98 89.25 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.951 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.79 -40.08 82.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.928 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.03 -39.43 79.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.682 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.76 -31.76 72.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.783 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.602 ' HA ' ' HA ' ' A' ' 105' ' ' GLU . . . -69.06 -17.65 63.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.453 179.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.534 HD11 HD21 ' A' ' 81' ' ' LEU . 86.9 mt -83.18 -25.8 31.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.716 0.293 . . . . 0.0 111.171 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.401 HD12 HG11 ' A' ' 60' ' ' VAL . 25.9 pt -101.92 -46.2 11.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -177.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.405 ' OD2' ' HG3' ' A' ' 106' ' ' LYS . 21.0 t70 -117.82 -16.23 9.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.868 0.366 . . . . 0.0 111.146 -174.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.602 ' HA ' ' HA ' ' A' ' 101' ' ' ALA . 34.8 mt-10 65.13 53.82 1.3 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.794 -174.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.405 ' HG3' ' OD2' ' A' ' 104' ' ' ASP . 54.5 mttp . . . . . 0 C--O 1.242 0.674 0 CA-C-O 118.546 -0.74 . . . . 0.0 109.654 172.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.8 mtp . . . . . 0 N--CA 1.483 1.216 0 CA-C-O 120.772 0.32 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.588 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 55.2 mttp -71.37 98.89 1.86 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.31 -179.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.1 148.26 36.16 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 176.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -92.21 118.93 31.35 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.4 HG12 ' CG2' ' A' ' 60' ' ' VAL . 53.3 mt -127.0 126.75 68.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.136 -176.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.653 HG13 ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -106.22 123.27 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 171.29 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.477 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -130.87 138.43 49.82 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 -174.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.7 t -120.58 119.62 60.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.967 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.631 HG23 ' HB1' ' A' ' 64' ' ' ALA . 17.6 p -102.98 120.32 40.43 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.111 176.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.647 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . . . -137.14 161.16 36.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.764 -175.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.994 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 45.0 t -154.86 152.41 29.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.225 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.553 ' HB2' ' HB ' ' A' ' 67' ' ' THR . . . -111.92 -17.27 12.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.952 0.406 . . . . 0.0 110.789 178.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 p -100.07 -87.08 0.37 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.372 -177.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.13 112.94 4.49 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.499 177.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 49.9 t -58.43 -34.15 49.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.716 0.293 . . . . 0.0 111.48 -175.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.84 -21.59 57.06 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -177.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -63.87 -29.3 70.5 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 121.175 -0.21 . . . . 0.0 111.156 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.1 p -62.28 -52.64 62.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.928 0.394 . . . . 0.0 110.962 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -59.93 -45.66 91.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.871 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.79 ' HE2' HG22 ' A' ' 89' ' ' ILE . 25.8 ttt -59.03 -47.31 85.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.974 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.637 ' HA ' HG12 ' A' ' 89' ' ' ILE . . . -61.41 -46.91 88.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.525 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.14 -46.43 88.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.362 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -63.52 -47.9 79.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.492 -178.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.444 ' O ' ' HB3' ' A' ' 27' ' ' LYS . . . -68.95 -38.57 79.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.014 0.435 . . . . 0.0 110.988 -177.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.9 tp -64.52 -46.97 80.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.829 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -66.27 -28.83 69.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.441 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 24' ' ' ALA . 53.1 tptt -57.42 -50.72 72.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.368 175.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.6 -36.58 92.62 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.281 -178.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.7 95.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.672 0.272 . . . . 0.0 110.836 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -69.75 -34.86 74.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.949 0.404 . . . . 0.0 110.374 178.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.1 tttm -60.39 -37.6 81.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.978 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 79.0 mtm -96.97 -14.97 21.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.505 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.57 52.82 2.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 0.0 113.11 176.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.565 ' HA ' ' HA ' ' A' ' 2' ' ' LYS . 51.2 m-80 -119.91 172.2 7.89 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.754 0.311 . . . . 0.0 110.668 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.588 ' HG ' ' HB3' ' A' ' 2' ' ' LYS . 90.3 mt -112.71 115.15 28.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.922 178.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.0 tt -127.11 139.38 52.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.261 0.553 . . . . 0.0 110.994 -175.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -115.43 102.13 9.54 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.786 175.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 16.4 t -99.82 124.22 53.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.498 -178.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.732 ' HG3' ' H ' ' A' ' 49' ' ' GLU . 26.8 tt0 -95.56 141.8 28.64 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.215 175.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.448 ' HB ' ' HB3' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -96.81 98.42 10.12 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 177.683 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.647 ' HB3' ' HB2' ' A' ' 10' ' ' ALA . 3.4 tt0 -95.11 90.02 5.76 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 177.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.31 -70.38 1.0 Allowed Glycine 0 C--N 1.33 0.228 0 CA-C-N 114.72 -1.127 . . . . 0.0 113.359 -167.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -129.29 69.11 1.41 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.1 m 62.97 17.98 10.51 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.785 0.802 . . . . 0.0 109.713 -174.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.45 ' O ' ' HA ' ' A' ' 41' ' ' GLN . . . -126.09 154.53 18.9 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.255 -178.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.649 HD13 ' HB2' ' A' ' 70' ' ' ARG . 22.5 mm -92.16 140.57 15.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -170.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.448 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 19.1 tt0 -117.47 -62.06 1.62 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.04 0.447 . . . . 0.0 110.475 172.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.58 ' HB3' ' HA ' ' A' ' 39' ' ' GLU . 7.4 t30 -74.98 -49.72 19.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.418 -175.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.732 ' H ' ' HG3' ' A' ' 39' ' ' GLU . 38.1 tt0 71.74 123.12 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 O-C-N 124.07 0.856 . . . . 0.0 111.772 -178.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.472 HD13 ' HB ' ' A' ' 6' ' ' ILE . 81.3 mt -95.98 116.4 28.88 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.45 174.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.476 ' O ' HG21 ' A' ' 55' ' ' VAL . 82.3 p -77.27 171.79 14.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.93 -175.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.492 ' OE2' ' HG2' ' A' ' 53' ' ' LYS . 0.9 OUTLIER -56.92 -45.17 82.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 -179.158 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.492 ' HG2' ' OE2' ' A' ' 52' ' ' GLU . 32.1 mmtm -53.06 -53.56 48.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.351 175.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -53.2 -48.0 68.44 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 -178.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.476 HG21 ' O ' ' A' ' 51' ' ' THR . 89.0 t -59.81 -44.56 94.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.015 -177.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -83.35 -14.6 52.5 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.645 0.259 . . . . 0.0 111.648 -175.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 53' ' ' LYS . 88.4 mt -84.24 -47.41 17.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 173.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.507 ' HA3' HG23 ' A' ' 6' ' ' ILE . . . -59.79 131.96 50.93 Favored Glycine 0 C--N 1.332 0.329 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.451 178.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -90.1 -56.16 3.33 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.776 0.322 . . . . 0.0 110.278 -176.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.523 ' HA ' HG12 ' A' ' 79' ' ' VAL . 22.1 m -101.57 144.33 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.736 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.608 HG22 HD12 ' A' ' 6' ' ' ILE . 39.5 t -109.57 125.37 66.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.954 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.3 mt -116.71 119.72 62.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.866 0.365 . . . . 0.0 110.38 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -106.74 110.04 22.11 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.983 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.631 ' HB1' HG23 ' A' ' 9' ' ' THR . . . -106.6 91.1 3.54 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 172.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.527 HG12 ' HB3' ' A' ' 10' ' ' ALA . 18.4 m -135.1 155.39 37.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -168.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.994 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 38.1 t70 -112.6 14.64 20.15 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.399 -1.273 . . . . 0.0 108.762 175.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.553 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 15.0 t -171.9 -165.04 0.34 Allowed 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.573 -178.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -73.87 177.34 5.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 111.283 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.469 ' CG1' HG13 ' A' ' 65' ' ' VAL . 28.6 m -134.9 154.23 36.17 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 CA-C-O 121.25 0.548 . . . . 0.0 111.163 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.649 ' HB2' HD13 ' A' ' 46' ' ' ILE . 19.2 mmt180 -90.22 -21.41 22.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.789 176.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.595 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 24.8 m-80 -82.75 -8.61 59.58 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -174.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.434 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 29.0 tptp -59.82 -24.55 64.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.913 0.387 . . . . 0.0 110.391 -177.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -55.12 -42.28 72.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.799 178.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.595 ' HG2' ' O ' ' A' ' 71' ' ' ASN . 9.5 ptp180 -92.32 -16.92 25.41 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -169.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.788 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 17.7 m-85 -92.67 46.46 1.24 Allowed 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.223 -0.298 . . . . 0.0 110.844 178.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.432 ' CG ' ' H ' ' A' ' 77' ' ' GLY . 3.1 p-10 -61.07 -80.77 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.928 -177.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.432 ' H ' ' CG ' ' A' ' 76' ' ' ASP . . . -86.26 47.98 3.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.095 -0.574 . . . . 0.0 111.759 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.788 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 28.2 mtpp -126.93 159.54 33.69 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -178.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.523 HG12 ' HA ' ' A' ' 60' ' ' VAL . 4.0 p -82.45 117.01 27.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.285 0.564 . . . . 0.0 110.656 -176.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.486 ' HA ' ' HB ' ' A' ' 61' ' ' VAL . 90.4 t -111.52 119.13 59.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.293 -176.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.638 HD22 HD13 ' A' ' 102' ' ' LEU . 3.2 tm? -109.6 107.87 18.1 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 174.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -102.9 135.62 44.24 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.081 -176.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 18.6 m -139.92 158.77 66.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.666 177.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.473 ' HG2' ' HB1' ' A' ' 87' ' ' ALA . 19.4 Cg_endo -60.37 149.28 86.85 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 121.898 1.732 . . . . 0.0 110.637 171.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.7 p -56.22 -30.96 31.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -174.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.491 ' HA ' HD11 ' A' ' 89' ' ' ILE . 32.3 t -75.5 -20.14 58.94 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.473 ' HB1' ' HG2' ' A' ' 84' ' ' PRO . . . -64.58 -54.58 35.73 Favored Pre-proline 0 CA--C 1.538 0.483 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -171.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.625 ' HG3' ' HB3' ' A' ' 64' ' ' ALA . 64.6 Cg_endo -70.72 -4.25 14.3 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 122.094 1.863 . . . . 0.0 112.712 -175.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.79 HG22 ' HE2' ' A' ' 20' ' ' MET . 60.1 mt -79.22 -38.36 20.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.42 0.629 . . . . 0.0 109.65 176.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -95.94 -48.98 5.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.089 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.61 ' HB3' ' HB3' ' A' ' 94' ' ' LYS . 53.9 m-20 -105.19 41.96 1.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.45 -173.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.22 -49.48 63.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.592 0.234 . . . . 0.0 111.55 -176.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -59.09 -43.23 91.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.166 0.508 . . . . 0.0 110.195 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.61 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 62.2 tttm -71.1 -38.37 72.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.642 -172.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 91' ' ' ASP . 99.8 t -64.08 -44.57 97.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.505 177.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 76.2 mt -64.22 -44.67 97.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.643 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -62.75 -41.41 99.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.276 178.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.472 ' O ' ' HG ' ' A' ' 102' ' ' LEU . . . -59.87 -42.37 93.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.226 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.53 93.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.814 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 80.5 mt -69.72 -35.24 74.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.635 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.19 -18.57 64.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.668 -179.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.638 HD13 HD22 ' A' ' 81' ' ' LEU . 80.3 mt -76.78 -32.58 57.78 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.354 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.442 HG13 ' N ' ' A' ' 104' ' ' ASP . 28.7 pt -105.56 -42.05 6.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -176.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.442 ' N ' HG13 ' A' ' 103' ' ' ILE . 22.9 t70 -103.8 -23.32 13.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.79 0.329 . . . . 0.0 110.409 -175.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 62.56 85.13 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.478 177.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm . . . . . 0 C--O 1.244 0.795 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.358 177.281 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.484 1.23 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 94.2 mttt 56.05 37.78 29.21 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.394 0.434 . . . . 0.0 111.211 173.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.414 ' NH1' ' HG3' ' A' ' 59' ' ' GLU . 4.3 tpt85 -63.62 128.63 36.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.476 -174.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp -82.46 120.31 25.3 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.876 -177.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.462 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 75.4 mt -139.07 134.79 41.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.879 0.371 . . . . 0.0 111.506 -176.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.693 HD11 HG22 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -115.89 135.83 54.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 169.864 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -135.66 130.76 34.82 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 122.333 -0.23 . . . . 0.0 110.454 -176.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.2 t -107.95 113.3 43.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.207 0.527 . . . . 0.0 110.774 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.416 HG23 ' HB1' ' A' ' 64' ' ' ALA . 22.6 p -102.38 118.16 36.28 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.564 175.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.721 ' HB1' HG12 ' A' ' 65' ' ' VAL . . . -139.3 127.22 22.2 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.883 0.373 . . . . 0.0 111.311 -175.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.538 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 41.5 t -158.28 130.79 7.09 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.19 -36.96 34.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.06 0.457 . . . . 0.0 110.494 -178.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.4 p -96.46 125.11 40.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.169 -177.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.39 74.21 0.92 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.192 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.9 t -56.91 -34.85 45.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.912 0.386 . . . . 0.0 111.209 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.76 -29.02 69.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.69 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -73.52 -41.25 63.29 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.538 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 5.9 m -57.57 -50.46 73.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.484 176.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -68.66 -32.27 71.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.006 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.456 ' HA ' HE21 ' A' ' 23' ' ' GLN . 24.8 ttt -62.92 -45.77 90.94 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.106 -0.237 . . . . 0.0 110.591 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.95 -37.76 83.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.081 0.467 . . . . 0.0 110.155 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.622 ' HA ' HG11 ' A' ' 38' ' ' VAL . . . -64.68 -49.58 70.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.473 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.456 HE21 ' HA ' ' A' ' 20' ' ' MET . 28.4 pt20 -73.21 -29.28 62.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.136 -178.113 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.86 -46.01 72.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.929 0.395 . . . . 0.0 110.127 176.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' A' ' 88' ' ' PRO . 62.8 mt -61.55 -44.1 97.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.136 175.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -58.76 -37.9 77.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.148 0.499 . . . . 0.0 110.136 176.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -67.1 -52.59 39.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.22 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.7 -48.67 83.67 Favored Glycine 0 CA--C 1.518 0.275 0 CA-C-N 115.955 -0.566 . . . . 0.0 113.239 -176.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.404 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -63.86 -32.94 74.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.736 0.303 . . . . 0.0 111.338 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.717 ' HZ3' ' HB2' ' A' ' 30' ' ' LYS . 4.8 ttmp? -69.14 -37.62 78.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.005 0.431 . . . . 0.0 110.271 177.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -60.43 -41.48 94.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.406 177.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 84.6 mtp -74.85 -24.41 58.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.257 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.91 57.88 1.46 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.063 -0.589 . . . . 0.0 111.762 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -128.76 177.66 6.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.825 0.345 . . . . 0.0 111.213 -173.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 mp -114.36 107.84 16.11 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 176.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.462 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 15.3 tt -125.79 134.39 66.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.38 0.609 . . . . 0.0 111.3 -173.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -116.63 104.24 11.19 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.072 173.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.622 HG11 ' HA ' ' A' ' 22' ' ' ALA . 17.6 t -94.55 125.32 47.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.026 -178.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.659 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 29.8 tt0 -96.29 132.19 42.03 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.959 177.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.893 ' HB ' ' HB3' ' A' ' 47' ' ' GLU . 13.9 m -108.16 102.28 11.44 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.52 ' O ' ' HA ' ' A' ' 10' ' ' ALA . 4.5 tt0 -103.92 110.74 22.99 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -178.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.69 -111.75 3.57 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.369 -0.919 . . . . 0.0 112.734 -174.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.72 81.46 5.81 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.581 0.229 . . . . 0.0 110.603 -175.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.7 p 51.97 22.94 1.96 Allowed 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.624 0.77 . . . . 0.0 111.784 -177.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -139.34 150.44 21.31 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 178.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -110.49 130.35 63.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 C-N-CA 120.404 -0.519 . . . . 0.0 110.849 -173.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.893 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 8.3 tp10 -79.74 -49.17 12.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.382 0.611 . . . . 0.0 109.476 177.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -130.21 79.4 1.9 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.661 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -74.32 125.17 27.88 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.269 0.557 . . . . 0.0 111.249 -177.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.659 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 70.8 mt -76.07 149.54 37.46 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.359 -179.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.8 p -106.78 172.72 6.66 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.056 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -59.12 -42.34 90.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.825 0.345 . . . . 0.0 111.166 -174.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.476 ' HB2' ' HZ2' ' A' ' 53' ' ' LYS . 0.4 OUTLIER -59.19 -39.45 82.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.317 -178.794 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -67.71 -42.95 81.18 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.745 0.783 . . . . 0.0 109.738 -177.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 1.099 HG23 ' HD2' ' A' ' 74' ' ' ARG . 72.5 t -62.36 -44.15 98.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 114.333 -1.303 . . . . 0.0 111.811 -177.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -78.66 -11.8 59.99 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.401 -175.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 68.9 mt -88.31 -42.69 15.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.109 173.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.475 ' HA3' HD13 ' A' ' 6' ' ' ILE . . . -59.2 130.63 50.97 Favored Glycine 0 CA--C 1.521 0.406 0 C-N-CA 121.25 -0.5 . . . . 0.0 113.214 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.414 ' HG3' ' NH1' ' A' ' 3' ' ' ARG . 9.2 mm-40 -75.65 -55.05 6.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.997 0.427 . . . . 0.0 110.356 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.2 m -117.93 152.34 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.654 -179.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.693 HG22 HD11 ' A' ' 6' ' ' ILE . 8.2 t -117.32 121.88 68.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.31 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.9 mp -101.34 131.85 48.3 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -115.13 117.45 30.58 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.98 0.419 . . . . 0.0 110.995 178.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.693 ' HB2' ' HA ' ' A' ' 85' ' ' VAL . . . -114.94 90.16 3.27 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 170.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.721 HG12 ' HB1' ' A' ' 10' ' ' ALA . 22.2 m -132.91 135.61 56.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -167.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.499 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 0.8 OUTLIER -101.15 -23.27 14.49 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 113.999 -1.455 . . . . 0.0 109.277 172.813 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.3 t -125.2 -169.98 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.095 -177.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.436 ' HE2' ' HB3' ' A' ' 68' ' ' LYS . 28.3 ttpt -86.73 148.9 25.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.386 -178.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.464 ' CG2' ' HB2' ' A' ' 72' ' ' LYS . 22.3 m -120.6 143.04 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.861 0.362 . . . . 0.0 110.164 176.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -76.77 -32.81 57.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.007 0.432 . . . . 0.0 111.177 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -82.35 -7.27 59.63 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -169.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.481 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 82.9 tttt -60.02 -23.15 63.45 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 177.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -41.02 -52.42 3.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.839 175.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 1.099 ' HD2' HG23 ' A' ' 55' ' ' VAL . 11.8 ptp180 -83.22 -32.63 26.41 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -178.4 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.481 ' HD2' ' HA ' ' A' ' 72' ' ' LYS . 24.6 m-85 -67.93 -8.47 37.12 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.82 0.343 . . . . 0.0 111.123 177.075 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.96 -42.57 85.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.761 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -96.4 41.13 2.44 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.825 -0.703 . . . . 0.0 111.928 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -140.11 176.43 8.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.726 0.298 . . . . 0.0 110.206 -178.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.467 HG12 HG22 ' A' ' 103' ' ' ILE . 59.3 t -92.67 118.9 39.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 178.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.607 HG12 ' HB ' ' A' ' 61' ' ' VAL . 2.8 m -127.09 161.21 34.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.304 0.574 . . . . 0.0 111.75 -174.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.613 HD21 HD13 ' A' ' 102' ' ' LEU . 3.3 tm? -133.94 108.51 8.45 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 174.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -107.62 124.68 50.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.036 -173.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.419 ' HB ' ' HD2' ' A' ' 84' ' ' PRO . 11.7 m -139.38 169.67 11.78 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.449 -178.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.419 ' HD2' ' HB ' ' A' ' 83' ' ' VAL . 33.4 Cg_exo -61.01 148.76 91.87 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.513 2.142 . . . . 0.0 111.244 173.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.693 ' HA ' ' HB2' ' A' ' 64' ' ' ALA . 11.8 p -61.53 -28.04 43.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -175.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.3 t -73.74 -24.27 59.86 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 120.756 0.312 . . . . 0.0 111.525 -178.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.602 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -63.51 -54.56 42.35 Favored Pre-proline 0 CA--C 1.539 0.54 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -173.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.655 ' HG2' ' HB3' ' A' ' 64' ' ' ALA . 15.7 Cg_exo -70.02 -1.29 8.44 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 122.253 1.968 . . . . 0.0 113.075 -176.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 38.2 mt -76.14 -45.0 36.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.854 0.359 . . . . 0.0 110.456 177.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -96.66 -26.86 15.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.534 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.523 ' O ' HG22 ' A' ' 95' ' ' VAL . 37.0 m-20 -121.78 40.76 3.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.482 -175.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.56 -49.39 65.03 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -176.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.2 mp0 -63.69 -37.8 88.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.826 0.346 . . . . 0.0 110.927 -178.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.422 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 38.3 ttpt -72.82 -34.63 66.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.406 -175.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.523 HG22 ' O ' ' A' ' 91' ' ' ASP . 84.8 t -64.66 -42.99 96.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.17 0.509 . . . . 0.0 109.994 176.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.497 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 94.9 mt -64.2 -48.18 86.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.663 177.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -60.63 -38.58 85.23 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.307 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.415 ' O ' ' HG ' ' A' ' 102' ' ' LEU . . . -63.57 -45.28 91.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.878 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.81 98.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.066 0.46 . . . . 0.0 111.032 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 91.6 mt -66.4 -35.78 81.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.182 -179.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.495 ' HA ' ' HA ' ' A' ' 105' ' ' GLU . . . -68.39 -21.37 64.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.536 -178.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.613 HD13 HD21 ' A' ' 81' ' ' LEU . 81.8 mt -65.92 -25.58 67.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.989 -178.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.467 HG22 HG12 ' A' ' 79' ' ' VAL . 29.5 pt -115.33 -32.68 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.684 179.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -145.88 -78.97 0.17 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.577 0.227 . . . . 0.0 110.966 -177.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.495 ' HA ' ' HA ' ' A' ' 101' ' ' ALA . 27.4 tt0 173.01 -45.98 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -177.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt . . . . . 0 C--O 1.251 1.164 0 CA-C-N 114.782 -1.099 . . . . 0.0 108.967 -178.834 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ttt . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -70.28 116.61 10.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 0.0 110.59 177.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -140.56 131.81 26.58 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 172.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.678 ' HB3' ' HA2' ' A' ' 58' ' ' GLY . 43.3 mmtm -83.01 122.68 28.62 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 173.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 57.3 mt -129.55 114.18 30.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 110.477 -0.194 . . . . 0.0 110.477 -178.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.662 ' H ' HD12 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -96.18 119.45 44.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.421 0.629 . . . . 0.0 109.503 174.718 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.403 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -127.18 130.13 49.15 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.786 -174.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.412 ' HB ' ' CD1' ' A' ' 63' ' ' PHE . 58.1 t -109.45 126.28 66.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.042 0.448 . . . . 0.0 110.536 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.564 HG23 ' HB3' ' A' ' 64' ' ' ALA . 18.8 p -115.51 122.77 46.73 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.835 177.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -145.39 97.51 3.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.739 0.304 . . . . 0.0 111.534 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.909 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 41.8 t -108.8 125.93 52.49 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 176.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.75 -31.43 18.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.064 0.459 . . . . 0.0 110.154 178.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.2 m -62.11 -60.02 4.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.062 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.31 117.05 1.54 Allowed Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.474 -0.869 . . . . 0.0 112.329 -177.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.6 m -64.76 -18.92 24.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.064 0.459 . . . . 0.0 111.051 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.57 -31.56 72.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.582 175.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -72.21 -41.9 66.38 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 41' ' ' GLN . 20.3 m -58.43 -48.45 80.66 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.512 178.243 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -72.06 -41.9 66.89 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.958 -175.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 18.9 tpt -63.85 -43.1 97.16 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.15 -48.09 81.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.783 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.24 -34.61 76.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.083 -176.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -80.53 -42.01 23.17 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.151 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.46 -40.8 89.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.173 0.511 . . . . 0.0 110.339 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.2 tp -66.22 -37.26 85.13 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.446 177.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.612 ' HB2' ' HZ1' ' A' ' 26' ' ' LYS . 4.5 ttmp? -63.99 -45.37 89.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.967 177.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -63.42 -39.0 93.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.068 176.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.76 -43.3 98.0 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.024 174.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.02 -41.12 97.54 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -59.13 -38.21 79.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.993 175.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -58.1 -42.85 86.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.683 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.626 ' HB2' ' ND2' ' A' ' 34' ' ' ASN . 90.4 mmm -95.36 3.67 54.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.982 -176.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.16 33.76 56.36 Favored Glycine 0 C--N 1.333 0.388 0 CA-C-N 116.014 -0.539 . . . . 0.0 113.431 174.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.626 ' ND2' ' HB2' ' A' ' 32' ' ' MET . 34.0 m-80 -97.03 170.76 8.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.11 0.481 . . . . 0.0 110.757 -178.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 mp -116.16 105.71 12.89 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 176.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.9 tt -103.27 140.51 21.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.487 0.66 . . . . 0.0 111.431 -171.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.811 ' HG3' HD23 ' A' ' 50' ' ' LEU . 9.5 tppt? -116.39 98.76 6.75 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 175.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 7.3 p -101.85 135.45 38.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.337 0.589 . . . . 0.0 111.691 -173.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.779 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 33.3 tt0 -109.38 125.65 52.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.655 176.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.554 ' OG1' ' HB3' ' A' ' 47' ' ' GLU . 0.9 OUTLIER -108.07 105.29 14.98 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.391 -178.599 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.482 ' HG2' HG12 ' A' ' 46' ' ' ILE . 31.7 mt-30 -104.61 -156.53 0.57 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 175.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 151.06 -88.9 0.13 Allowed Glycine 0 C--N 1.314 -0.681 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.464 173.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.45 83.43 2.45 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.557 0.217 . . . . 0.0 110.786 -178.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.0 m 73.48 -39.16 0.43 Allowed 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 176.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.01 157.43 15.58 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.8 -170.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.482 HG12 ' HG2' ' A' ' 41' ' ' GLN . 60.9 mt -118.37 131.24 71.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.554 ' HB3' ' OG1' ' A' ' 40' ' ' THR . 36.2 tt0 -80.99 -40.17 24.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.94 0.4 . . . . 0.0 111.242 -176.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.563 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 6.0 t30 -129.01 83.98 2.19 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 -178.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -69.08 119.8 13.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.739 -176.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.811 HD23 ' HG3' ' A' ' 37' ' ' LYS . 33.6 mt -82.05 118.2 22.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.965 177.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.453 ' O ' HG22 ' A' ' 55' ' ' VAL . 67.1 p -72.74 167.38 20.96 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -60.57 -26.64 67.09 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.533 ' O ' HG13 ' A' ' 57' ' ' ILE . 32.1 ttpt -67.26 -55.52 13.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.192 176.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.427 ' HB3' ' HG2' ' A' ' 37' ' ' LYS . 44.1 m-20 -55.81 -40.98 73.51 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.28 0.562 . . . . 0.0 110.662 -177.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.772 HG21 ' HG3' ' A' ' 74' ' ' ARG . 58.6 t -68.55 -34.93 68.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.317 -177.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -73.67 -26.71 60.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.699 0.285 . . . . 0.0 110.742 177.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 53' ' ' LYS . 76.3 mt -68.67 -47.78 74.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.137 176.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.678 ' HA2' ' HB3' ' A' ' 4' ' ' LYS . . . -63.37 138.26 43.17 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.985 -0.552 . . . . 0.0 113.321 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -80.56 -69.75 0.58 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.047 0.451 . . . . 0.0 109.932 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.0 m -97.84 148.61 5.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.087 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.61 ' HB ' HG11 ' A' ' 80' ' ' VAL . 31.1 t -110.82 136.99 45.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.994 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.5 mt -124.52 127.57 73.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 176.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.701 ' HB2' ' HG2' ' A' ' 82' ' ' GLU . 41.4 m-85 -112.14 107.67 16.67 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.914 179.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.644 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -107.92 90.41 3.29 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 172.266 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.0 m -132.47 145.95 33.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.712 0.768 . . . . 0.0 112.886 -170.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.909 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 19.5 t70 -108.19 -11.43 15.25 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.308 -1.315 . . . . 0.0 109.214 176.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.1 t -139.78 -170.75 3.0 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.416 178.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -74.3 146.78 42.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.221 0.534 . . . . 0.0 111.465 -176.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.3 p -109.53 118.26 56.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.094 174.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.485 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 12.9 ttm180 -74.52 -45.3 46.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.834 -175.077 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.415 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 10.9 m-20 -66.65 -6.18 14.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.479 -176.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.495 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 31.6 ttmt -50.09 -22.8 1.78 Allowed 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.212 0.32 . . . . 0.0 111.075 177.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 29.8 mt-10 -41.02 -47.41 3.06 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.756 176.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.772 ' HG3' HG21 ' A' ' 55' ' ' VAL . 8.2 ptp180 -85.57 -21.98 28.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.392 -175.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.785 ' HA ' ' HG3' ' A' ' 78' ' ' LYS . 55.9 m-85 -88.67 16.91 6.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.982 0.42 . . . . 0.0 110.309 176.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -82.26 -49.06 10.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.536 -173.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.15 46.08 3.22 Favored Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 173.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.785 ' HG3' ' HA ' ' A' ' 75' ' ' PHE . 12.0 mmmt -132.56 166.58 21.76 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 -174.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.8 p -96.4 108.68 21.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 176.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.61 HG11 ' HB ' ' A' ' 61' ' ' VAL . 2.2 m -116.81 153.24 18.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.184 0.516 . . . . 0.0 111.746 -172.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.504 HD21 HD13 ' A' ' 102' ' ' LEU . 1.9 tm? -129.59 115.87 18.04 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 173.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.701 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 42.3 mt-10 -104.55 134.73 47.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.257 0.551 . . . . 0.0 111.722 -173.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.436 ' HB ' ' HD2' ' A' ' 84' ' ' PRO . 17.4 m -142.9 164.64 30.95 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.511 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.62 ' HG2' ' HB2' ' A' ' 87' ' ' ALA . 23.0 Cg_endo -61.63 150.44 85.54 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.0 1.8 . . . . 0.0 110.92 171.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.644 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 8.8 p -64.63 -28.26 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.22 0.533 . . . . 0.0 110.894 -175.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.416 ' HA ' HD12 ' A' ' 89' ' ' ILE . 15.4 m -74.35 -18.89 60.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.762 -0.653 . . . . 0.0 112.486 -178.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.621 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -67.49 -57.72 9.84 Favored Pre-proline 0 CA--C 1.539 0.544 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -174.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.621 ' HD3' ' HB3' ' A' ' 87' ' ' ALA . 14.4 Cg_exo -68.54 0.48 4.72 Favored 'Trans proline' 0 C--N 1.359 1.119 0 C-N-CA 122.369 2.046 . . . . 0.0 113.043 -174.162 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 86' ' ' SER . 96.0 mt -72.61 -36.98 55.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 172.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -97.74 -64.9 1.0 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.886 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.816 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 11.9 p-10 -105.72 42.27 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.142 0.496 . . . . 0.0 111.654 -168.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.577 ' HB1' ' O ' ' A' ' 88' ' ' PRO . . . -53.11 -35.39 59.61 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.859 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -59.15 -41.54 88.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.451 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.816 ' HD3' ' HB2' ' A' ' 91' ' ' ASP . 10.7 mtpt -66.27 -46.17 77.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.188 178.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 45.1 t -58.37 -40.92 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.856 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.579 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 82.2 mt -63.86 -50.5 77.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.706 179.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -63.35 -37.27 86.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.889 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.63 86.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.817 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.07 -42.08 66.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.605 177.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 79.3 mt -63.19 -38.85 92.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.641 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.11 -17.51 57.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.975 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.504 HD13 HD21 ' A' ' 81' ' ' LEU . 60.4 mt -73.85 -41.16 62.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.666 0.27 . . . . 0.0 111.321 -178.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 33.4 pt -98.09 -19.95 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.936 0.398 . . . . 0.0 111.362 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -96.56 -39.16 9.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.229 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 52.7 43.56 31.19 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.165 0.507 . . . . 0.0 110.743 -173.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 60.9 tttm . . . . . 0 C--O 1.25 1.088 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.037 -178.769 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.7 tpp . . . . . 0 N--CA 1.476 0.871 0 CA-C-O 121.039 0.447 . . . . 0.0 111.31 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -110.8 90.69 3.4 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 169.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 -65.34 119.32 10.74 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.392 -175.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.481 ' HE2' HD22 ' A' ' 35' ' ' LEU . 27.7 mmtp -79.16 109.83 13.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.436 177.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 62.9 mt -115.68 127.73 73.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.734 -177.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.664 HD11 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -104.48 129.8 56.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 174.474 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.459 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -135.02 141.1 46.11 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.842 0.353 . . . . 0.0 110.813 -175.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.545 ' HB ' ' CE1' ' A' ' 63' ' ' PHE . 64.1 t -128.88 132.11 67.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 177.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.511 HG21 ' HB3' ' A' ' 22' ' ' ALA . 4.0 t -124.91 135.38 52.81 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.744 177.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.563 ' HB1' ' HB3' ' A' ' 41' ' ' GLN . . . -164.22 99.94 0.84 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.132 -173.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.436 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 42.0 t -94.52 -18.69 21.21 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 174.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.68 ' HB3' HG21 ' A' ' 67' ' ' THR . . . 64.2 -75.92 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.746 0.819 . . . . 0.0 112.02 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 m -62.43 -53.61 52.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.21 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.65 69.15 1.73 Allowed Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.789 -0.72 . . . . 0.0 111.357 175.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.8 p -58.66 -28.67 37.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 122.373 0.269 . . . . 0.0 111.624 -176.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.93 -30.7 71.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.066 0.46 . . . . 0.0 111.004 178.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -71.23 -32.59 68.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.815 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.8 m -58.38 -44.28 88.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.688 177.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.461 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 81.4 m-85 -71.84 -40.59 68.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.452 -177.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.3 tpt -61.78 -44.83 96.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.839 0.352 . . . . 0.0 110.755 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.96 -46.94 85.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.707 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.511 ' HB3' HG21 ' A' ' 9' ' ' THR . . . -57.79 -50.76 72.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.908 -178.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 19' ' ' TYR . 4.2 pt20 -66.91 -41.97 86.22 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.734 -175.306 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.32 -46.76 66.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.904 0.383 . . . . 0.0 110.79 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.0 tp -57.8 -47.02 83.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.092 177.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -68.38 -30.34 69.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.944 -177.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -64.4 -48.44 75.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.507 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.31 -29.37 71.91 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 121.081 -0.581 . . . . 0.0 112.481 -178.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.23 -44.49 91.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.663 0.268 . . . . 0.0 111.139 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -69.57 -31.31 69.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.414 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -58.62 -44.44 89.99 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.509 178.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.1 mmt -78.04 -5.17 50.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.246 -177.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.55 47.73 7.16 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.887 176.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -127.84 173.8 9.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.819 0.343 . . . . 0.0 110.61 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.481 HD22 ' HE2' ' A' ' 4' ' ' LYS . 9.7 mp -111.64 124.39 52.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.726 177.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.8 tt -127.23 140.3 49.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.114 0.483 . . . . 0.0 110.667 -176.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -116.61 103.43 10.38 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.448 176.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 19.2 t -101.82 122.05 53.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.904 0.383 . . . . 0.0 110.982 -176.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.689 ' OE1' ' HA ' ' A' ' 49' ' ' GLU . 29.4 tt0 -94.83 124.45 38.87 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.985 178.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.0 p -100.32 107.51 19.32 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.172 0.511 . . . . 0.0 110.412 176.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.725 ' HG3' HG12 ' A' ' 46' ' ' ILE . 6.8 tt0 -109.81 106.13 15.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.409 179.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.571 ' O ' ' HA ' ' A' ' 12' ' ' ALA . . . -87.31 -105.04 0.86 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.214 -176.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.437 ' C ' ' H ' ' A' ' 45' ' ' GLY . . . -118.94 89.13 3.07 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.1 m 71.12 -10.45 0.77 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.857 -176.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.437 ' H ' ' C ' ' A' ' 43' ' ' ALA . . . -107.87 110.31 3.13 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.85 -177.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.725 HG12 ' HG3' ' A' ' 41' ' ' GLN . 16.0 mt -99.92 131.11 47.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.425 ' CD ' ' HH ' ' A' ' 19' ' ' TYR . 44.8 mt-10 -104.21 21.46 16.5 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.944 -173.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -161.15 -68.28 0.06 Allowed 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 121.183 -0.207 . . . . 0.0 110.691 -179.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.689 ' HA ' ' OE1' ' A' ' 39' ' ' GLU . 31.4 tt0 61.35 97.84 0.03 OUTLIER 'General case' 0 C--O 1.237 0.422 0 O-C-N 123.9 0.75 . . . . 0.0 110.423 -174.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.476 HD11 ' HB ' ' A' ' 6' ' ' ILE . 80.4 mt -61.37 130.46 46.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.717 -177.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.482 ' O ' HG21 ' A' ' 55' ' ' VAL . 30.7 p -74.66 159.79 31.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.186 -178.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.99 -33.5 70.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.913 0.387 . . . . 0.0 110.016 176.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.512 ' O ' HG13 ' A' ' 57' ' ' ILE . 16.9 tptp -65.96 -52.29 51.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.163 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -57.39 -40.35 78.0 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.048 0.451 . . . . 0.0 110.869 178.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.699 HG12 ' HB3' ' A' ' 74' ' ' ARG . 41.1 t -61.57 -35.04 64.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.335 -0.848 . . . . 0.0 112.043 -179.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -82.19 -31.03 30.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.647 0.26 . . . . 0.0 111.154 178.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 53' ' ' LYS . 82.3 mt -65.55 -48.13 83.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.931 0.396 . . . . 0.0 109.972 176.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.83 143.47 43.62 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.692 174.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -98.33 -66.99 0.87 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.806 0.336 . . . . 0.0 110.769 -177.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.472 HG21 ' HB1' ' A' ' 99' ' ' ALA . 14.6 p -94.72 144.1 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -178.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.703 ' HB ' ' HB ' ' A' ' 80' ' ' VAL . 13.2 t -109.9 142.42 22.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.699 -176.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.7 mt -119.43 117.52 54.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.362 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.545 ' CE1' ' HB ' ' A' ' 8' ' ' VAL . 1.5 m-85 -106.06 119.33 38.93 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.007 0.432 . . . . 0.0 110.783 177.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.478 ' HB2' ' HA ' ' A' ' 85' ' ' VAL . . . -122.72 88.84 3.0 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 171.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.512 HG11 ' N ' ' A' ' 10' ' ' ALA . 28.9 m -141.42 174.88 6.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.238 0.542 . . . . 0.0 111.795 -168.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.436 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 18.6 t70 -135.73 -17.54 1.69 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.716 173.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.68 HG21 ' HB3' ' A' ' 12' ' ' ALA . 15.1 t -121.77 -166.33 1.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.007 -175.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -70.74 152.36 43.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.969 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 1.014 ' HB ' ' HG3' ' A' ' 72' ' ' LYS . 73.1 t -129.21 135.22 62.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.315 178.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.688 ' HD3' HD11 ' A' ' 46' ' ' ILE . 28.0 mtp-105 -88.7 -14.6 36.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -176.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.464 ' HB3' ' CE2' ' A' ' 75' ' ' PHE . 0.5 OUTLIER -86.05 -7.86 58.33 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.185 174.455 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 1.014 ' HG3' ' HB ' ' A' ' 69' ' ' VAL . 50.1 mtpt -55.61 -41.65 73.77 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -173.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -59.1 -33.12 70.46 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.768 0.318 . . . . 0.0 111.436 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.699 ' HB3' HG12 ' A' ' 55' ' ' VAL . 9.2 mtm180 -69.44 -35.67 75.9 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.955 178.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.641 ' CE1' HG13 ' A' ' 6' ' ' ILE . 11.8 m-85 -99.38 11.24 39.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.706 0.288 . . . . 0.0 110.927 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -70.62 -39.34 73.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.327 -170.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -101.09 26.9 22.97 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.718 177.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.414 ' HG3' ' HA ' ' A' ' 75' ' ' PHE . 1.6 mtmp? -128.65 -177.39 4.17 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -176.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.9 t -94.94 122.08 46.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.734 0.302 . . . . 0.0 110.523 -177.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.703 ' HB ' ' HB ' ' A' ' 61' ' ' VAL . 2.6 p -144.25 138.83 24.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.015 0.436 . . . . 0.0 111.152 -177.07 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.3 tp -100.17 123.32 44.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.449 173.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.57 109.76 21.77 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.5 m -119.99 160.77 41.56 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.654 176.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -56.73 148.31 66.4 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.324 2.016 . . . . 0.0 111.175 173.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.478 ' HA ' ' HB2' ' A' ' 64' ' ' ALA . 7.5 p -63.15 -24.91 37.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-O 120.849 0.357 . . . . 0.0 111.129 -175.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.7 m -74.93 -19.57 60.07 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 177.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.06 -51.28 37.37 Favored Pre-proline 0 CA--C 1.543 0.682 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -171.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -73.97 13.0 0.87 Allowed 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 121.973 1.782 . . . . 0.0 113.534 -174.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 94.3 mt -82.95 -58.46 3.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.633 0.254 . . . . 0.0 111.09 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -96.35 -13.31 23.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.822 0.344 . . . . 0.0 111.164 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.497 ' O ' HG22 ' A' ' 95' ' ' VAL . 23.9 m-20 -125.59 37.74 4.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.793 0.33 . . . . 0.0 111.067 -176.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.63 -46.48 77.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.339 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -64.76 -33.4 75.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.779 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -66.61 -43.06 85.81 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 91' ' ' ASP . 62.4 t -60.9 -44.11 97.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.644 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.452 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 84.2 mt -62.36 -46.71 95.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.783 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -65.67 -38.95 90.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.237 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.97 -36.59 78.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.721 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.472 ' HB1' HG21 ' A' ' 60' ' ' VAL . . . -62.24 -37.51 85.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.428 177.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 84.2 mt -71.05 -31.44 67.88 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.468 178.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.4 -31.02 70.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.751 0.31 . . . . 0.0 110.888 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.17 -37.27 86.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.746 178.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 26.7 pt -93.04 -1.19 10.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.071 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 38.8 t70 61.28 94.87 0.04 OUTLIER 'General case' 0 C--O 1.231 0.106 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.889 -171.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -44.56 123.55 3.68 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 114.988 -1.005 . . . . 0.0 112.594 -174.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt . . . . . 0 C--O 1.245 0.822 0 CA-C-N 114.717 -1.128 . . . . 0.0 109.609 -178.459 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.472 ' HA ' ' O ' ' A' ' 32' ' ' MET . 17.1 mmt . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 120.817 0.341 . . . . 0.0 111.334 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.8 mtmm -85.44 118.82 25.2 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -168.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.857 ' HE ' ' HG3' ' A' ' 59' ' ' GLU . 4.8 tpt180 -151.56 148.11 27.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.799 172.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.43 ' CB ' ' HA2' ' A' ' 58' ' ' GLY . 73.3 mmtt -84.13 124.56 31.27 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 177.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.531 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 67.4 mt -132.41 131.66 60.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.904 0.383 . . . . 0.0 110.876 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.588 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -112.32 136.5 48.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 173.817 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.535 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -139.23 137.88 36.34 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.884 0.373 . . . . 0.0 111.172 -175.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.432 HG13 HG22 ' A' ' 69' ' ' VAL . 88.5 t -111.79 114.32 46.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.944 176.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.4 p -102.19 112.5 25.2 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.704 177.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.738 ' HB1' ' HB3' ' A' ' 41' ' ' GLN . . . -129.05 145.28 51.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.803 -175.058 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.885 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 49.8 t -162.05 131.9 4.66 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 174.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.34 -16.84 12.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.942 0.401 . . . . 0.0 111.145 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.9 p -86.82 -52.11 5.68 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.03 0.443 . . . . 0.0 111.007 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -113.01 96.1 0.8 Allowed Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 177.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.458 HG13 ' HE2' ' A' ' 19' ' ' TYR . 31.8 t -56.53 -41.56 73.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.681 0.277 . . . . 0.0 111.735 -174.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.65 -27.3 67.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.519 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.6 m170 -67.28 -36.39 81.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.249 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.523 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 4.3 m -60.73 -46.77 89.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.969 -178.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.458 ' HE2' HG13 ' A' ' 15' ' ' VAL . 55.6 m-85 -70.74 -37.9 73.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.113 0.482 . . . . 0.0 110.455 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 51.0 ttm -66.91 -45.34 78.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.395 -176.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.417 ' HA ' HG12 ' A' ' 89' ' ' ILE . . . -59.22 -43.98 92.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.328 -177.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.485 ' O ' ' HG2' ' A' ' 26' ' ' LYS . . . -64.59 -51.32 63.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.811 -178.068 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -66.36 -35.24 79.85 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.232 -176.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.99 -41.27 71.18 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.186 0.517 . . . . 0.0 110.201 178.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.611 HD11 ' HB3' ' A' ' 88' ' ' PRO . 55.2 tp -62.47 -38.87 91.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.599 176.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' A' ' 22' ' ' ALA . 12.7 mmmm -55.76 -43.12 76.38 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.189 177.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -61.23 -48.53 81.05 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.278 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.54 -40.68 98.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.433 -179.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.47 -50.27 63.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.06 0.457 . . . . 0.0 111.33 -178.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -67.96 -26.09 65.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.422 -177.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.459 ' HD2' ' OE1' ' A' ' 93' ' ' GLU . 35.0 ttmt -68.57 -35.6 77.61 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.977 0.418 . . . . 0.0 110.354 176.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.499 ' HE1' ' OE1' ' A' ' 93' ' ' GLU . 24.8 mmt -84.61 -4.89 59.22 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.216 -178.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.17 19.85 56.4 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.112 -0.566 . . . . 0.0 113.802 172.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -108.11 170.31 8.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 117.17 0.485 . . . . 0.0 110.88 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -111.5 117.05 31.95 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.846 -177.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.531 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 17.4 tt -120.88 142.23 37.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.325 0.583 . . . . 0.0 111.146 -174.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -122.17 107.8 12.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.155 177.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.535 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 23.2 m -100.76 133.35 44.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -173.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.879 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 24.6 tt0 -95.55 133.45 39.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.008 174.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 1.017 ' HB ' ' HB3' ' A' ' 47' ' ' GLU . 6.4 m -97.38 98.08 9.66 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 176.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.738 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 7.4 tp-100 -106.23 127.2 53.06 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.761 -172.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -122.14 13.79 8.99 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.51 -0.852 . . . . 0.0 111.804 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 70.84 -52.36 0.67 Allowed 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.587 0.755 . . . . 0.0 111.269 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 m -69.22 -24.3 64.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.632 177.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.27 152.04 20.82 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.369 -178.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.706 HG12 HE22 ' A' ' 41' ' ' GLN . 20.5 mt -103.95 122.26 56.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 177.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 1.017 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 10.4 tp10 -85.02 -37.03 20.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.904 0.383 . . . . 0.0 110.256 -177.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -135.79 87.75 2.34 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -67.11 121.72 16.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.397 -176.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.879 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 57.5 mt -82.43 107.92 15.46 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 173.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.532 ' O ' HG21 ' A' ' 55' ' ' VAL . 57.6 p -78.06 169.29 18.53 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.705 -176.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.417 ' CD ' ' H ' ' A' ' 52' ' ' GLU . 9.9 mp0 -52.6 -41.99 64.16 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 177.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.488 ' O ' HG12 ' A' ' 57' ' ' ILE . 87.1 tttt -52.97 -49.8 65.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.435 177.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -62.77 -44.63 95.67 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.228 0.537 . . . . 0.0 110.692 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.712 HG11 ' HG3' ' A' ' 74' ' ' ARG . 40.4 t -68.39 -34.65 67.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.726 -174.012 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.94 -25.77 64.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.203 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 53' ' ' LYS . 48.7 mm -78.89 -48.92 21.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.854 -177.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.43 ' HA2' ' CB ' ' A' ' 4' ' ' LYS . . . -67.19 142.79 41.85 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.033 -0.603 . . . . 0.0 113.446 -178.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.857 ' HG3' ' HE ' ' A' ' 3' ' ' ARG . 23.3 mm-40 -79.85 -70.55 0.51 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.106 0.479 . . . . 0.0 110.41 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.0 m -97.73 149.57 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.15 -176.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.683 HG13 ' HB3' ' A' ' 75' ' ' PHE . 31.6 t -110.45 118.65 57.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.347 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.7 mt -97.14 119.55 45.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.98 176.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.555 ' CZ ' ' HG3' ' A' ' 72' ' ' LYS . 20.0 m-85 -108.33 110.71 22.34 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.913 0.387 . . . . 0.0 111.143 177.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.574 ' HB3' ' HA ' ' A' ' 85' ' ' VAL . . . -116.73 90.78 3.41 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 170.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.572 HG13 ' HB2' ' A' ' 10' ' ' ALA . 27.5 m -130.53 137.2 56.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.732 0.777 . . . . 0.0 112.536 -169.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.885 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 6.6 t70 -96.74 -23.33 16.48 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.389 -1.278 . . . . 0.0 109.1 170.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.8 t -125.89 -170.96 2.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.065 -178.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -80.94 171.01 15.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.128 0.49 . . . . 0.0 111.378 -176.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.752 HG13 ' HB2' ' A' ' 72' ' ' LYS . 2.1 p -147.59 120.1 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.106 177.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.501 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 3.6 tmt_? -69.71 -39.92 76.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.73 -175.068 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.408 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 93.1 m-20 -68.36 -7.68 33.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.933 -175.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.752 ' HB2' HG13 ' A' ' 69' ' ' VAL . 19.2 ttpp -54.53 -23.7 17.62 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 122.545 0.338 . . . . 0.0 111.3 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 17.2 mt-10 -40.85 -53.0 2.97 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 123.88 0.737 . . . . 0.0 111.436 178.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.712 ' HG3' HG11 ' A' ' 55' ' ' VAL . 10.3 ptp180 -82.22 -34.34 28.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.79 -1.095 . . . . 0.0 111.895 -172.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.683 ' HB3' HG13 ' A' ' 61' ' ' VAL . 77.0 m-85 -70.54 -32.1 69.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.173 0.511 . . . . 0.0 110.767 -178.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.75 -26.28 67.66 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.341 -172.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -90.37 12.97 66.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.999 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -119.66 -164.58 1.08 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.1 t -82.88 115.67 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.0 t -114.18 137.47 47.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.0 0.428 . . . . 0.0 112.054 -171.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.56 HD21 HD12 ' A' ' 102' ' ' LEU . 3.1 tm? -132.13 113.44 13.33 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 172.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.519 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 48.4 mt-10 -105.15 135.63 46.15 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.823 0.344 . . . . 0.0 111.562 -175.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.45 ' HB ' ' HD2' ' A' ' 84' ' ' PRO . 15.4 m -141.01 164.03 38.56 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.602 177.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.534 ' HG2' ' HB2' ' A' ' 87' ' ' ALA . 27.6 Cg_endo -64.5 155.36 66.81 Favored 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 122.288 1.992 . . . . 0.0 111.119 172.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.574 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 12.2 p -65.6 -24.86 35.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.925 0.393 . . . . 0.0 111.117 -176.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.8 m -73.77 -22.45 59.84 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.611 178.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.591 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -63.5 -56.0 30.24 Favored Pre-proline 0 CA--C 1.535 0.374 0 N-CA-C 113.067 0.765 . . . . 0.0 113.067 -172.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.611 ' HB3' HD11 ' A' ' 25' ' ' LEU . 11.2 Cg_exo -72.01 7.27 1.76 Allowed 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 122.3 2.0 . . . . 0.0 113.318 -175.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.417 HG12 ' HA ' ' A' ' 21' ' ' ALA . 71.8 mt -87.79 -51.74 12.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 175.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.406 ' HE2' ' HB3' ' A' ' 90' ' ' LYS . 53.1 mtpt -97.36 -30.53 12.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.829 179.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.487 ' O ' HG23 ' A' ' 95' ' ' VAL . 11.6 m-20 -121.34 34.33 5.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.876 -171.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.507 ' HA ' ' HA ' ' A' ' 88' ' ' PRO . . . -53.38 -45.9 69.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.814 -177.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.499 ' OE1' ' HE1' ' A' ' 32' ' ' MET . 36.2 mt-10 -67.27 -32.17 73.0 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.302 -176.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -70.67 -39.22 73.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.094 0.473 . . . . 0.0 109.973 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 91' ' ' ASP . 60.7 t -60.09 -42.26 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.263 176.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 92' ' ' ALA . 78.8 mt -61.01 -45.85 97.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.555 177.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -63.88 -33.38 75.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.173 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.97 -42.65 99.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.967 0.413 . . . . 0.0 110.28 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.65 -39.14 80.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.61 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.11 -34.94 79.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.911 177.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.451 ' HA ' ' HA ' ' A' ' 105' ' ' GLU . . . -64.98 -23.38 67.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.411 -179.102 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.56 HD12 HD21 ' A' ' 81' ' ' LEU . 79.8 mt -77.88 -45.16 25.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.88 0.371 . . . . 0.0 110.948 -178.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 27.6 pt -93.14 -39.63 11.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -175.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -115.96 -17.56 10.92 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.588 0.232 . . . . 0.0 111.229 -172.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.451 ' HA ' ' HA ' ' A' ' 101' ' ' ALA . 33.7 tt0 67.07 22.63 9.88 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.784 0.802 . . . . 0.0 109.867 178.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.633 ' HE2' ' HA ' ' A' ' 106' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.245 0.836 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.355 -178.086 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.6 ttm . . . . . 0 N--CA 1.482 1.153 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.481 ' HD3' ' O ' ' A' ' 33' ' ' GLY . 47.3 mmtm -83.27 59.54 5.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.033 0.444 . . . . 0.0 110.325 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.505 ' HE ' ' HG3' ' A' ' 59' ' ' GLU . 3.6 tpt180 -87.58 138.37 31.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.415 -176.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -84.34 128.22 34.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.68 -179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 66.6 mt -139.37 137.68 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 121.151 -0.22 . . . . 0.0 110.621 -178.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.523 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -113.43 132.52 62.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 171.121 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.451 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -140.56 132.9 28.32 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.683 -176.115 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.7 t -110.16 114.83 48.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.016 0.436 . . . . 0.0 110.485 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.529 HG22 ' HB2' ' A' ' 64' ' ' ALA . 17.6 p -97.13 108.9 21.73 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.283 173.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.627 ' HA ' ' O ' ' A' ' 41' ' ' GLN . . . -127.25 103.03 7.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.861 0.362 . . . . 0.0 111.864 -173.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.635 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 42.8 t -124.56 131.27 53.49 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 176.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.24 -31.12 7.69 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.932 0.396 . . . . 0.0 110.745 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.0 m -71.72 -54.95 8.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.814 -178.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -114.32 93.94 0.66 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.942 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 m -61.8 -20.91 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -176.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.69 -27.47 64.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.069 0.461 . . . . 0.0 110.358 176.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -75.36 -34.73 61.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.62 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.434 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 2.6 m -55.68 -53.93 50.44 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.422 0.451 . . . . 0.0 111.23 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -75.68 -32.64 60.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.331 -175.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 51.2 ttm -70.54 -43.16 70.14 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.775 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.17 -44.72 95.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.694 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.466 ' O ' ' HG3' ' A' ' 26' ' ' LYS . . . -57.72 -49.14 77.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.329 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -69.83 -38.75 76.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.446 -177.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.46 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . . . -66.81 -39.96 87.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.19 0.519 . . . . 0.0 110.398 177.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.7 tp -62.99 -45.36 92.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.248 175.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 97.4 mttt -58.49 -42.45 87.6 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.568 175.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -61.63 -42.11 98.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.635 -177.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.69 -39.72 54.96 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.262 178.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.413 ' HA ' ' CD1' ' A' ' 96' ' ' ILE . . . -66.33 -41.98 88.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.902 0.382 . . . . 0.0 110.903 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.502 ' HA ' ' HE3' ' A' ' 30' ' ' LYS . 1.6 tpmt? -69.23 -29.11 66.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.28 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -61.55 -34.17 75.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.996 175.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 85.5 mmm -85.49 -6.03 59.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.547 178.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.481 ' O ' ' HD3' ' A' ' 2' ' ' LYS . . . 80.02 17.07 75.46 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.577 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -75.39 167.31 22.14 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.431 0.634 . . . . 0.0 111.514 -175.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 98.2 mt -117.0 92.74 3.94 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.528 173.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 15.8 tt -111.58 144.52 19.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.065 -171.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -116.57 103.37 10.33 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.451 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 35.4 t -93.85 117.53 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.07 -176.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.658 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 42.3 tt0 -94.52 148.99 21.69 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.09 -177.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.473 ' OG1' ' HB2' ' A' ' 47' ' ' GLU . 3.7 p -120.78 110.27 16.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.073 0.464 . . . . 0.0 111.597 -177.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.627 ' O ' ' HA ' ' A' ' 10' ' ' ALA . 41.8 tt0 -115.87 148.16 40.27 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 175.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -148.7 -75.1 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.356 -0.926 . . . . 0.0 111.949 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.411 ' C ' ' H ' ' A' ' 45' ' ' GLY . . . -106.63 79.18 1.33 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.616 0.246 . . . . 0.0 110.793 -179.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.8 m 71.15 -37.57 0.4 Allowed 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 178.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.411 ' H ' ' C ' ' A' ' 43' ' ' ALA . . . -96.77 172.8 28.84 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.704 -171.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 35.0 mm -120.13 127.12 75.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.473 ' HB2' ' OG1' ' A' ' 40' ' ' THR . 48.8 mt-10 -85.58 -71.49 0.53 Allowed 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.276 179.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -81.66 71.07 8.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.467 0.651 . . . . 0.0 109.306 177.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -56.88 120.26 7.62 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.247 -1.342 . . . . 0.0 112.413 -176.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.658 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 79.6 mt -85.51 151.28 24.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.686 173.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 77.3 p -110.1 169.79 8.5 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 177.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -59.97 -30.39 69.08 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -177.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.535 ' O ' HG12 ' A' ' 57' ' ' ILE . 39.0 ttpt -58.43 -51.47 69.69 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 175.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -58.39 -46.7 85.85 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.152 0.501 . . . . 0.0 110.406 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.9 t -59.94 -38.17 75.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.521 -178.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -88.07 -10.94 48.6 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -177.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.535 HG12 ' O ' ' A' ' 53' ' ' LYS . 35.0 mm -89.99 -47.14 14.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 174.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.401 ' HA3' HG23 ' A' ' 6' ' ' ILE . . . -61.13 134.02 48.8 Favored Glycine 0 CA--C 1.519 0.312 0 CA-C-N 116.012 -0.54 . . . . 0.0 113.037 -179.143 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.505 ' HG3' ' HE ' ' A' ' 3' ' ' ARG . 6.4 mm-40 -73.8 -70.5 0.38 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.346 0.593 . . . . 0.0 110.54 -177.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.629 ' HA ' HG11 ' A' ' 79' ' ' VAL . 19.6 m -99.7 151.45 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.978 -174.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.499 HG23 HD12 ' A' ' 6' ' ' ILE . 32.4 t -110.4 116.31 52.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.622 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.9 mt -103.61 126.3 58.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.429 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.612 ' HB2' ' HG2' ' A' ' 82' ' ' GLU . 42.8 m-85 -112.77 102.86 10.87 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.821 0.343 . . . . 0.0 110.956 176.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.529 ' HB2' HG22 ' A' ' 9' ' ' THR . . . -100.76 91.63 4.71 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 172.153 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.6 HG13 ' HB1' ' A' ' 10' ' ' ALA . 23.9 m -128.25 154.8 39.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.882 0.848 . . . . 0.0 113.153 -168.118 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.635 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 0.9 OUTLIER -111.94 -24.29 10.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 113.963 -1.471 . . . . 0.0 108.848 173.9 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.6 t -128.22 -168.79 1.96 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.004 -0.998 . . . . 0.0 108.729 176.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -85.64 167.18 15.57 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.706 0.288 . . . . 0.0 110.32 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.42 ' CG2' ' HB2' ' A' ' 72' ' ' LYS . 15.5 m -123.99 157.04 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.32 178.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -94.6 -35.48 12.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.423 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.515 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 85.7 m-20 -76.58 -5.86 49.5 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 -171.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.483 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 41.3 ttmt -57.03 -24.88 56.94 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.288 0.566 . . . . 0.0 109.62 178.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -42.37 -51.62 4.84 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.788 -1.096 . . . . 0.0 112.095 174.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.515 ' HG2' ' O ' ' A' ' 71' ' ' ASN . 13.1 ptp180 -83.02 -26.9 30.77 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -177.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.556 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 29.0 m-85 -76.79 -8.61 57.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.513 0.197 . . . . 0.0 111.285 177.29 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.28 -40.86 95.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.867 -176.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -82.39 16.43 24.1 Favored Glycine 0 C--O 1.23 -0.152 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.156 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.556 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 26.1 mtpp -124.88 -173.67 2.85 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -178.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.629 HG11 ' HA ' ' A' ' 60' ' ' VAL . 3.9 p -90.64 127.46 43.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.816 0.341 . . . . 0.0 110.484 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.8 t -119.87 135.6 59.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.79 -171.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -133.53 117.02 16.64 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 173.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.612 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 45.9 mt-10 -107.43 138.7 43.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.1 0.476 . . . . 0.0 111.973 -176.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.516 ' HB ' ' HD2' ' A' ' 84' ' ' PRO . 17.3 m -141.86 165.46 27.83 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.49 175.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.783 ' HG2' ' HB3' ' A' ' 87' ' ' ALA . 28.3 Cg_endo -64.78 147.98 89.88 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 121.813 1.675 . . . . 0.0 111.024 172.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.404 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 14.5 p -60.4 -32.86 52.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.951 0.405 . . . . 0.0 111.729 -175.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.3 m -74.29 -18.74 60.67 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -178.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.783 ' HB3' ' HG2' ' A' ' 84' ' ' PRO . . . -62.67 -55.85 34.97 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -173.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.628 ' HD3' ' HB1' ' A' ' 87' ' ' ALA . 29.3 Cg_exo -63.22 -8.99 15.75 Favored 'Trans proline' 0 C--N 1.358 1.059 0 C-N-CA 122.649 2.233 . . . . 0.0 113.586 -174.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.46 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 61.6 mt -64.68 -42.43 95.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.068 0.461 . . . . 0.0 109.875 176.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -98.95 -50.81 4.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.554 175.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.633 ' HB3' ' HB3' ' A' ' 94' ' ' LYS . 2.8 m-20 -88.04 38.74 0.86 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.328 -173.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.1 -52.28 59.12 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -171.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.431 ' HA ' HD11 ' A' ' 96' ' ' ILE . 2.4 mp0 -77.54 -23.22 50.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.043 0.449 . . . . 0.0 110.463 -177.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.633 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 66.4 tttm -73.07 -39.42 65.88 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.76 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.587 HG21 ' O ' ' A' ' 91' ' ' ASP . 87.5 t -60.21 -38.95 79.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.302 175.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.431 HD11 ' HA ' ' A' ' 93' ' ' GLU . 76.1 mt -61.34 -49.18 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.318 175.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -61.27 -36.29 79.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.991 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.69 -41.44 95.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.59 79.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.802 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.412 HD23 ' O ' ' A' ' 96' ' ' ILE . 4.4 mm? -62.94 -28.36 70.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.07 0.462 . . . . 0.0 110.92 177.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.704 ' HA ' ' CA ' ' A' ' 105' ' ' GLU . . . -66.56 -17.2 64.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.83 179.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -83.95 -9.05 58.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.597 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.423 HG22 HG21 ' A' ' 79' ' ' VAL . 24.5 pt -122.75 -33.21 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.761 178.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.407 ' O ' ' HG2' ' A' ' 105' ' ' GLU . 5.6 m-20 -140.65 -49.5 0.44 Allowed 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.765 -0.198 . . . . 0.0 111.487 -178.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.704 ' CA ' ' HA ' ' A' ' 101' ' ' ALA . 0.8 OUTLIER 77.14 -1.59 2.76 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 124.419 1.074 . . . . 0.0 110.183 -172.828 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 86.0 tttt . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.357 -0.83 . . . . 0.0 109.259 174.255 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.4 mmt . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 34.6 mtmm -63.5 108.41 1.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.299 0.374 . . . . 0.0 111.893 -173.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.436 ' HE ' ' CD ' ' A' ' 59' ' ' GLU . 1.7 tpt180 -103.71 167.2 9.94 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.288 -0.414 . . . . 0.0 109.945 175.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.527 ' CB ' ' HA2' ' A' ' 58' ' ' GLY . 65.5 mmtt -99.72 111.14 23.49 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 57.1 mt -120.94 128.24 76.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.777 0.322 . . . . 0.0 111.273 -178.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.575 HD11 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -112.01 132.75 59.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 171.421 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.603 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -137.82 147.1 44.27 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.902 0.382 . . . . 0.0 111.392 -174.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.428 HG11 HG11 ' A' ' 69' ' ' VAL . 57.3 t -121.98 124.71 71.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.464 177.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.3 p -109.54 128.28 55.08 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.043 176.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.65 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . . . -151.11 149.58 29.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.151 -176.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.945 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 18.6 t -158.32 144.48 17.17 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 176.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.538 ' HB3' ' HB ' ' A' ' 67' ' ' THR . . . -102.59 -44.34 5.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.74 0.305 . . . . 0.0 111.217 -177.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.9 m -91.63 -61.81 1.56 Allowed 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.143 -178.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.58 68.11 3.53 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.835 -0.697 . . . . 0.0 111.899 178.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.464 HG11 ' HE2' ' A' ' 19' ' ' TYR . 45.2 t -50.26 -37.27 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -173.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.65 -24.74 66.92 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -177.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -66.88 -34.6 78.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.33 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.3 m -57.37 -48.09 79.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.231 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.464 ' HE2' HG11 ' A' ' 15' ' ' VAL . 69.0 m-85 -80.86 -21.07 41.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.017 -172.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.1 tpt -80.82 -48.71 12.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.709 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.77 -36.72 79.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.577 -176.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.88 -46.24 82.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.325 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.476 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 10.9 mm-40 -80.41 -32.55 37.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.354 -178.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.14 -43.61 97.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.963 0.411 . . . . 0.0 110.199 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.6 mt -60.34 -38.86 85.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.802 175.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.443 ' HE3' HG23 ' A' ' 38' ' ' VAL . 15.1 mttp -62.07 -49.17 77.02 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.937 177.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -59.57 -43.34 93.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.596 -178.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.64 -41.73 95.83 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.234 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.3 -42.91 96.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.888 0.375 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.407 ' HD3' ' O ' ' A' ' 26' ' ' LYS . 5.4 mptp? -69.95 -29.79 67.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.066 178.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -64.23 -43.47 94.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.056 0.455 . . . . 0.0 110.24 176.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.638 ' HE2' ' HA ' ' A' ' 32' ' ' MET . 16.3 mmt -72.79 -34.88 67.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.705 177.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.425 ' O ' ' HA ' ' A' ' 2' ' ' LYS . . . 103.88 55.47 0.78 Allowed Glycine 0 C--O 1.225 -0.424 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.107 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -132.99 170.41 15.4 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.137 0.494 . . . . 0.0 111.454 -176.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -106.57 124.52 49.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.051 175.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.413 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 17.1 tt -128.53 136.59 59.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.345 0.593 . . . . 0.0 111.397 -175.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -116.04 106.03 13.3 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.876 175.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.603 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 16.9 m -102.07 143.49 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 CA-C-O 121.249 0.547 . . . . 0.0 111.439 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.615 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 36.1 tt0 -111.72 131.7 55.12 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.389 174.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.434 ' OG1' ' HB2' ' A' ' 47' ' ' GLU . 38.6 p -98.25 104.16 16.17 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 121.371 0.605 . . . . 0.0 110.329 177.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.65 ' HB3' ' HB2' ' A' ' 10' ' ' ALA . 7.3 tp-100 -89.92 85.13 6.28 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 176.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.14 58.1 4.61 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.051 -175.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 62.63 85.41 0.13 Allowed 'General case' 0 C--O 1.235 0.317 0 C-N-CA 122.936 0.494 . . . . 0.0 110.784 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.7 m 75.79 -36.15 0.28 Allowed 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.009 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.27 113.17 4.26 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.39 -176.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.569 HG12 HE22 ' A' ' 41' ' ' GLN . 16.4 mt -90.34 130.37 39.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -178.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.434 ' HB2' ' OG1' ' A' ' 40' ' ' THR . 50.0 mt-10 -102.69 -47.0 4.56 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.425 -0.51 . . . . 0.0 111.485 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.588 ' HB2' ' HA ' ' A' ' 39' ' ' GLU . 14.3 m120 -81.05 -61.02 2.08 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 121.084 -0.247 . . . . 0.0 111.001 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.554 ' H ' ' HG3' ' A' ' 39' ' ' GLU . 53.6 tt0 66.55 99.32 0.05 OUTLIER 'General case' 0 C--O 1.233 0.186 0 O-C-N 123.803 0.69 . . . . 0.0 110.585 -177.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.615 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 87.0 mt -82.86 132.19 35.17 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.46 177.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.471 ' O ' HG23 ' A' ' 55' ' ' VAL . 38.1 p -91.55 157.78 16.82 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.933 -173.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -49.42 -45.14 45.96 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.984 0.421 . . . . 0.0 110.458 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.41 ' O ' HG12 ' A' ' 57' ' ' ILE . 89.0 tttt -64.24 -45.03 89.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.019 -178.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -69.97 -39.32 76.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.581 -176.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.678 HG22 ' HG3' ' A' ' 74' ' ' ARG . 81.8 t -64.3 -37.56 80.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.956 177.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.84 -21.54 64.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.286 -179.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 53' ' ' LYS . 48.9 mm -70.78 -45.48 73.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 175.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.527 ' HA2' ' CB ' ' A' ' 4' ' ' LYS . . . -65.71 154.26 50.92 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.333 177.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.436 ' CD ' ' HE ' ' A' ' 3' ' ' ARG . 33.7 mt-10 -108.75 -53.62 2.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.636 0.255 . . . . 0.0 110.975 -177.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.451 ' HA ' HG12 ' A' ' 79' ' ' VAL . 22.8 m -102.57 141.08 19.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.813 0.339 . . . . 0.0 110.659 178.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.527 HG21 HD13 ' A' ' 6' ' ' ILE . 21.6 t -110.82 128.79 66.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.7 -177.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 65.8 mt -110.8 127.62 67.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.132 177.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -119.57 112.19 19.02 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.949 0.404 . . . . 0.0 110.959 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.619 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -113.69 90.84 3.45 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 171.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.491 HG11 ' HB3' ' A' ' 10' ' ' ALA . 24.1 m -131.66 138.69 52.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.672 0.748 . . . . 0.0 112.622 -168.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.945 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 16.0 t70 -114.27 -1.87 13.48 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.416 -1.266 . . . . 0.0 109.212 173.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.538 ' HB ' ' HB3' ' A' ' 12' ' ' ALA . 11.3 t -143.9 174.24 11.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.52 -178.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.428 ' HE2' ' HB3' ' A' ' 68' ' ' LYS . 35.4 ttpt -70.97 141.25 51.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.325 -177.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.588 ' HB ' ' HB2' ' A' ' 72' ' ' LYS . 46.2 t -114.86 126.18 72.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.021 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -82.16 -35.51 28.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.785 -175.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.452 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 92.9 m-20 -82.16 -7.22 59.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.709 0.29 . . . . 0.0 111.069 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.588 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 44.1 tttm -50.2 -28.26 7.24 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.144 -178.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -51.33 -34.93 35.77 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -175.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.678 ' HG3' HG22 ' A' ' 55' ' ' VAL . 12.7 ptp180 -83.55 -7.19 59.57 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -174.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.46 ' HD2' ' HA ' ' A' ' 72' ' ' LYS . 33.3 m-85 -96.53 -1.36 47.29 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.188 0.518 . . . . 0.0 109.788 174.294 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.0 140.19 35.33 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.946 179.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.96 23.3 45.96 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -171.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.629 ' HE3' ' O ' ' A' ' 74' ' ' ARG . 5.8 mtmm -139.03 -158.37 0.85 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.886 -0.657 . . . . 0.0 109.662 -179.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.451 HG12 ' HA ' ' A' ' 60' ' ' VAL . 4.8 p -110.19 107.24 22.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.35 0.595 . . . . 0.0 110.737 -177.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.5 t -107.3 115.17 48.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.578 -175.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.61 HD21 HD13 ' A' ' 102' ' ' LEU . 3.2 tm? -98.87 102.04 13.64 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 172.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -104.9 123.62 48.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.425 -171.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.0 m -134.66 163.76 48.87 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.049 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -59.06 143.79 99.64 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.255 1.97 . . . . 0.0 111.329 173.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.619 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 14.3 p -64.85 -23.53 33.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.992 0.425 . . . . 0.0 111.768 -175.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.8 m -73.96 -20.04 60.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.457 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.404 ' N ' ' HD2' ' A' ' 88' ' ' PRO . . . -70.17 -54.52 9.32 Favored Pre-proline 0 CA--C 1.538 0.499 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -174.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.416 ' HG3' ' CB ' ' A' ' 64' ' ' ALA . 57.4 Cg_endo -69.01 3.68 2.28 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 122.58 2.187 . . . . 0.0 113.75 -175.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 52.2 mt -81.32 -38.96 16.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.371 0.605 . . . . 0.0 109.385 174.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -97.2 -52.09 3.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.119 176.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.566 ' O ' HG21 ' A' ' 95' ' ' VAL . 7.2 m-20 -93.46 37.37 1.05 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.105 -173.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.73 -53.29 54.21 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -172.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -68.69 -29.33 67.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.583 0.706 . . . . 0.0 110.357 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.473 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 64.0 tttt -72.88 -35.87 67.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.271 -177.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.566 HG21 ' O ' ' A' ' 91' ' ' ASP . 95.7 t -65.73 -41.81 91.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.463 175.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.455 ' O ' HD22 ' A' ' 100' ' ' LEU . 80.3 mt -62.79 -48.64 87.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.578 177.256 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -62.82 -26.56 68.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 178.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.15 -37.99 89.16 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.705 0.288 . . . . 0.0 110.649 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.09 84.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.266 0.555 . . . . 0.0 109.913 176.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.455 HD22 ' O ' ' A' ' 96' ' ' ILE . 4.3 mm? -66.33 -30.68 71.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.854 177.198 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.938 ' HA ' ' HA ' ' A' ' 105' ' ' GLU . . . -68.2 -17.56 64.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.315 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.61 HD13 HD21 ' A' ' 81' ' ' LEU . 90.0 mt -79.58 -36.59 37.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.984 179.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 25.5 pt -96.9 -46.91 12.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -175.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -109.55 -35.62 6.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.677 0.275 . . . . 0.0 111.273 -177.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.938 ' HA ' ' HA ' ' A' ' 101' ' ' ALA . 29.4 tt0 63.15 72.27 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.747 -170.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt . . . . . 0 C--O 1.249 1.049 0 CA-C-N 114.964 -1.017 . . . . 0.0 109.723 -177.221 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.483 1.219 0 CA-C-O 121.213 0.53 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -136.22 100.53 4.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.459 177.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.9 tpp180 -65.66 125.45 25.3 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.77 ' HE2' HD11 ' A' ' 35' ' ' LEU . 34.0 mmtp -89.36 117.8 28.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.299 -179.097 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.571 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 56.2 mt -128.9 135.52 61.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 120.889 0.376 . . . . 0.0 110.871 -178.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.768 HD13 HG21 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -114.78 138.02 46.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 171.47 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.431 ' HA ' ' O ' ' A' ' 62' ' ' ILE . . . -132.89 133.26 43.04 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.095 -174.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.2 t -109.82 130.71 62.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 64' ' ' ALA . 14.8 p -114.2 130.03 56.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.042 -179.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.451 ' HB2' HG11 ' A' ' 65' ' ' VAL . . . -147.2 158.02 43.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.577 -179.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.606 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 49.0 t -176.22 -34.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.94 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 70.15 -69.16 0.18 Allowed 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.835 0.71 . . . . 0.0 111.667 177.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.8 m -70.5 -48.36 56.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.861 0.362 . . . . 0.0 110.716 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.4 73.92 2.58 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.728 -0.748 . . . . 0.0 111.685 177.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.1 t -59.6 -49.39 83.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 122.404 0.281 . . . . 0.0 111.464 -176.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.77 -36.0 82.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.139 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -64.14 -34.15 77.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.523 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 29.2 m -64.09 -48.84 74.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.614 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -67.07 -38.87 86.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.614 178.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 50.4 tpp -58.86 -53.55 57.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.921 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.09 91.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.049 -178.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.67 -49.03 79.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.257 0.551 . . . . 0.0 110.94 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -72.38 -30.14 64.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.319 -178.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.94 -40.93 62.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.625 0.25 . . . . 0.0 110.867 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.484 HD22 ' HB3' ' A' ' 88' ' ' PRO . 60.6 mt -60.4 -47.09 87.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.769 175.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.61 ' HA ' HG23 ' A' ' 36' ' ' ILE . 40.7 ttmt -61.97 -42.86 99.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.183 177.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -55.68 -50.34 70.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.0 177.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.82 -35.95 73.7 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.005 -0.617 . . . . 0.0 112.678 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.6 -48.45 77.32 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.589 0.233 . . . . 0.0 111.155 -178.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -69.83 -25.81 63.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.756 0.313 . . . . 0.0 110.513 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -68.45 -45.37 72.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.13 176.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 91.4 mmm -75.96 -18.45 59.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.437 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.25 41.87 4.15 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.712 177.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -123.23 179.18 4.79 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.77 HD11 ' HE2' ' A' ' 4' ' ' LYS . 94.5 mt -121.04 125.02 46.25 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 179.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.61 HG23 ' HA ' ' A' ' 26' ' ' LYS . 14.3 tt -129.89 138.36 54.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.193 0.52 . . . . 0.0 111.89 -174.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -116.53 108.57 16.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.224 172.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.0 p -100.97 137.63 27.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.293 0.568 . . . . 0.0 111.82 -174.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.776 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 39.1 tt0 -111.53 142.87 43.26 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.173 176.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.621 ' HB ' ' HB2' ' A' ' 47' ' ' GLU . 34.4 m -111.67 109.95 20.08 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 177.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.744 HE21 HG23 ' A' ' 46' ' ' ILE . 16.9 tt0 -134.85 102.09 5.13 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -174.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.74 -50.75 62.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.619 -0.801 . . . . 0.0 111.877 -177.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 179.38 -46.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 177.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.1 m -117.73 -24.91 7.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.281 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.46 137.76 14.28 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.744 HG23 HE21 ' A' ' 41' ' ' GLN . 5.2 mm -119.89 116.18 49.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 -174.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.621 ' HB2' ' HB ' ' A' ' 40' ' ' THR . 28.1 mt-10 -113.82 137.41 51.69 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 177.293 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 58.9 t30 72.93 -57.62 0.63 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.989 0.916 . . . . 0.0 110.204 -173.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 64.07 103.13 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.281 0.632 . . . . 0.0 111.538 176.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.776 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 83.0 mt -81.42 110.02 16.45 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.523 -179.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.417 ' O ' HG21 ' A' ' 55' ' ' VAL . 33.4 p -73.17 166.17 23.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.526 177.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -51.56 -32.4 28.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.687 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.582 ' O ' HG12 ' A' ' 57' ' ' ILE . 1.3 tmmt? -60.95 -57.72 11.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.196 178.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -66.25 -34.91 79.08 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.111 0.482 . . . . 0.0 110.923 -176.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.674 HG11 ' HG3' ' A' ' 74' ' ' ARG . 73.2 t -61.04 -37.44 77.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.248 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -93.41 7.25 45.23 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.926 0.394 . . . . 0.0 111.415 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.582 HG12 ' O ' ' A' ' 53' ' ' LYS . 36.7 mm -82.71 -49.71 16.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 169.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.511 ' HA2' ' HB3' ' A' ' 4' ' ' LYS . . . -68.59 144.07 41.54 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.965 177.444 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 8.6 pt-20 -99.61 -29.99 12.38 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.662 0.267 . . . . 0.0 110.775 -176.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.58 HG22 ' HB1' ' A' ' 99' ' ' ALA . 8.7 p -125.11 144.57 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 174.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.768 HG21 HD13 ' A' ' 6' ' ' ILE . 11.0 t -112.33 132.05 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.906 0.384 . . . . 0.0 111.062 -176.069 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.431 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 65.3 mt -112.93 127.95 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.052 176.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.43 ' CD1' HG12 ' A' ' 80' ' ' VAL . 58.7 m-85 -111.77 104.47 12.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.758 177.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.431 ' O ' ' HA ' ' A' ' 9' ' ' THR . . . -96.75 89.92 5.1 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 170.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.451 HG11 ' HB2' ' A' ' 10' ' ' ALA . 27.7 m -136.22 149.77 27.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.336 0.588 . . . . 0.0 111.679 -170.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.606 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 13.3 t70 -116.51 5.3 13.35 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.875 0.845 . . . . 0.0 108.756 173.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.8 t -155.91 -171.66 3.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.845 -1.071 . . . . 0.0 109.208 -178.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -86.63 167.74 14.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.922 0.391 . . . . 0.0 110.607 -178.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.522 ' CG2' ' HB2' ' A' ' 72' ' ' LYS . 23.2 m -136.87 170.54 18.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.915 176.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -94.28 -49.18 5.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.323 0.582 . . . . 0.0 110.912 -175.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.611 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 96.2 m-20 -74.32 -5.66 43.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.276 -171.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.522 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 26.8 ttpp -45.76 -32.05 2.32 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -58.95 -26.09 64.11 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -173.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.674 ' HG3' HG11 ' A' ' 55' ' ' VAL . 10.9 ptp180 -89.13 -16.07 32.33 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 122.008 -0.432 . . . . 0.0 111.484 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.619 ' HB3' HG13 ' A' ' 61' ' ' VAL . 51.5 m-85 -96.03 -18.78 19.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.202 0.525 . . . . 0.0 110.313 179.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.63 -47.64 83.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.935 -1.03 . . . . 0.0 112.713 -170.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -84.06 29.07 3.93 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.754 -0.736 . . . . 0.0 113.071 -175.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -121.97 -105.65 0.37 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.067 0.461 . . . . 0.0 109.87 177.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.592 HG22 HG21 ' A' ' 103' ' ' ILE . 38.5 t -138.72 115.24 10.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.43 HG12 ' CD1' ' A' ' 63' ' ' PHE . 57.7 t -109.99 104.74 17.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.082 0.467 . . . . 0.0 111.689 -173.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.41 HD23 HD12 ' A' ' 102' ' ' LEU . 2.5 tm? -100.12 101.12 12.09 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 172.08 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -104.24 124.12 48.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.152 -174.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.3 m -140.44 158.42 66.26 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.05 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.01 144.41 99.38 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.34 2.027 . . . . 0.0 111.344 175.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.416 HG11 ' HB2' ' A' ' 11' ' ' CYS . 8.7 p -63.71 -20.38 26.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-O 121.074 0.464 . . . . 0.0 111.555 -175.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.1 p -73.93 -27.78 61.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.186 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.517 ' HB1' ' HD3' ' A' ' 88' ' ' PRO . . . -68.03 -52.64 22.82 Favored Pre-proline 0 CA--C 1.539 0.53 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -172.513 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.517 ' HD3' ' HB1' ' A' ' 87' ' ' ALA . 16.6 Cg_exo -68.75 1.23 3.96 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 122.54 2.16 . . . . 0.0 113.459 -175.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 52.0 mt -70.02 -48.74 61.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.047 0.451 . . . . 0.0 110.08 177.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -96.35 -49.2 5.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.092 175.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.435 ' O ' HG22 ' A' ' 95' ' ' VAL . 73.2 m-20 -103.37 40.64 1.37 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.872 -169.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 88' ' ' PRO . . . -53.81 -37.18 63.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.064 0.459 . . . . 0.0 110.382 175.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -56.13 -45.69 79.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.704 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -73.1 -32.22 64.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.768 -178.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 91' ' ' ASP . 60.1 t -70.01 -41.36 79.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.05 0.452 . . . . 0.0 110.605 178.141 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.82 -48.43 88.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.328 178.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -71.19 -21.04 62.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.324 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.02 -40.26 82.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.839 0.352 . . . . 0.0 110.34 177.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.58 ' HB1' HG22 ' A' ' 60' ' ' VAL . . . -67.22 -44.62 79.05 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.317 178.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.68 -35.46 79.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.474 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.74 -17.53 63.12 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -178.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.41 HD12 HD23 ' A' ' 81' ' ' LEU . 71.0 mt -81.38 -44.37 17.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.931 0.395 . . . . 0.0 111.121 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.592 HG21 HG22 ' A' ' 79' ' ' VAL . 30.7 pt -101.95 -36.92 4.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -173.336 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -105.62 -20.79 13.36 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -176.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 57.78 71.77 0.56 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.412 178.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.199 -0.905 . . . . 0.0 109.909 179.634 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.481 1.113 0 CA-C-O 120.783 0.325 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -94.85 62.43 2.66 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.25 0.547 . . . . 0.0 109.776 175.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.739 ' HG3' ' HG3' ' A' ' 59' ' ' GLU . 3.5 tpt180 -75.13 129.84 38.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.949 -176.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.435 ' HE3' HD11 ' A' ' 35' ' ' LEU . 38.5 mmtm -77.65 125.3 29.13 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 176.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 66.0 mt -131.4 133.38 62.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 120.73 0.3 . . . . 0.0 110.74 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.544 HD11 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -112.53 129.2 68.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 172.232 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.419 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -134.97 139.98 45.33 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -175.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.8 t -118.33 129.02 75.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.12 178.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.516 ' HA ' ' O ' ' A' ' 64' ' ' ALA . 11.0 p -116.47 118.56 33.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.7 178.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.555 ' HA ' ' O ' ' A' ' 41' ' ' GLN . . . -133.64 123.47 25.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.765 0.317 . . . . 0.0 111.684 -177.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.538 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 52.7 t -131.04 -9.79 3.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.619 175.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 56.28 -89.23 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.384 0.674 . . . . 0.0 112.25 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.0 p -89.04 95.22 10.23 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.033 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 140.91 69.12 0.03 OUTLIER Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -176.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.5 m -58.29 -30.12 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 122.285 0.234 . . . . 0.0 111.599 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.92 -35.48 78.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.014 0.435 . . . . 0.0 110.894 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -84.28 -31.19 25.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.821 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.538 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 24.4 m -70.91 -57.09 4.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.208 -177.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -67.5 -39.48 85.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.539 -176.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.848 ' HE2' HD12 ' A' ' 89' ' ' ILE . 37.7 ttp -64.96 -43.55 92.33 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.08 -178.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.39 96.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.918 0.39 . . . . 0.0 110.714 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.488 ' O ' ' HG3' ' A' ' 26' ' ' LYS . . . -62.99 -43.14 99.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.478 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.655 HE21 ' HA ' ' A' ' 20' ' ' MET . 29.7 pt20 -80.76 -31.31 35.93 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.299 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.34 -39.53 92.5 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 120.975 0.417 . . . . 0.0 110.24 178.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.498 ' HG ' ' HB2' ' A' ' 88' ' ' PRO . 3.0 mt -57.51 -43.6 84.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.617 172.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 63.4 mttp -60.55 -40.53 91.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.487 178.383 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.586 ' HG2' ' O ' ' A' ' 23' ' ' GLN . 75.7 mmtt -55.7 -55.8 27.95 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.811 179.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.79 -37.22 94.49 Favored Glycine 0 CA--C 1.519 0.301 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.704 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.2 -49.68 68.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.627 0.251 . . . . 0.0 111.362 -178.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 16.7 ptpt -69.57 -26.16 64.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.804 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.43 -43.02 95.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.198 0.523 . . . . 0.0 110.24 177.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 86.4 mtp -82.14 -14.22 56.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.263 177.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.8 35.97 12.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.137 -0.554 . . . . 0.0 113.144 174.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -104.51 172.79 6.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.701 0.286 . . . . 0.0 110.766 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.435 HD11 ' HE3' ' A' ' 4' ' ' LYS . 97.3 mt -112.09 110.75 21.21 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.436 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 15.1 tt -121.7 145.15 28.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.341 0.591 . . . . 0.0 111.968 -172.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -115.95 112.32 21.68 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.167 170.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 40.0 t -101.92 124.19 55.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.392 -177.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -95.71 123.66 39.38 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.606 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.777 ' HB ' ' HB3' ' A' ' 47' ' ' GLU . 18.0 m -86.78 107.12 18.13 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.578 ' OE1' HG12 ' A' ' 46' ' ' ILE . 54.2 tp60 -113.99 130.61 56.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.429 -176.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.12 -93.51 1.02 Allowed Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 172.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -125.03 -58.16 1.48 Allowed 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 173.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.3 m -126.9 6.25 6.62 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.743 0.782 . . . . 0.0 109.562 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.38 133.95 11.42 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.373 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.578 HG12 ' OE1' ' A' ' 41' ' ' GLN . 5.6 mt -116.61 141.66 33.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 -174.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.777 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 32.1 tt0 -92.17 -42.28 9.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.137 0.494 . . . . 0.0 110.746 177.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -98.9 -57.81 2.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.387 -173.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.84 86.54 0.13 Allowed 'General case' 0 C--O 1.235 0.324 0 O-C-N 124.083 0.864 . . . . 0.0 109.692 -176.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.411 HD22 ' HB ' ' A' ' 6' ' ' ILE . 6.3 mp -78.06 123.49 26.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.823 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.573 ' O ' HG22 ' A' ' 55' ' ' VAL . 67.6 p -88.49 163.57 15.86 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -173.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -55.23 -27.63 47.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.145 0.498 . . . . 0.0 109.833 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.519 ' O ' HG13 ' A' ' 57' ' ' ILE . 33.1 mmtp -61.44 -54.06 48.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.969 176.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -66.46 -43.47 85.43 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.562 0.696 . . . . 0.0 110.2 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.573 HG22 ' O ' ' A' ' 51' ' ' THR . 98.7 t -63.41 -32.25 55.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.518 -175.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.89 -15.72 57.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.55 0.214 . . . . 0.0 111.35 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 53' ' ' LYS . 81.5 mt -77.59 -46.12 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.758 0.313 . . . . 0.0 110.193 178.173 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.441 ' HA3' HD12 ' A' ' 6' ' ' ILE . . . -59.35 144.71 45.29 Favored Glycine 0 CA--C 1.519 0.34 0 CA-C-N 115.971 -0.558 . . . . 0.0 113.329 179.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.739 ' HG3' ' HG3' ' A' ' 3' ' ' ARG . 4.1 mm-40 -78.57 -54.79 5.76 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.182 0.515 . . . . 0.0 110.087 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.441 ' HA ' HG13 ' A' ' 79' ' ' VAL . 20.7 m -123.69 155.0 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.262 -179.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.468 HG23 HD13 ' A' ' 6' ' ' ILE . 25.0 t -110.43 122.34 64.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.861 0.362 . . . . 0.0 110.542 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 69.4 mt -104.54 110.68 31.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.976 177.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.462 ' HE2' HG11 ' A' ' 69' ' ' VAL . 0.8 OUTLIER -103.16 96.52 6.84 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.825 -179.396 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.587 ' HA ' ' O ' ' A' ' 83' ' ' VAL . . . -96.49 89.7 5.12 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 173.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.96 139.12 41.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.005 -172.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.65 -4.51 10.27 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.135 175.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.9 p -131.29 -160.74 1.07 Allowed 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.625 -177.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -75.62 143.71 42.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.785 -176.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.462 HG11 ' HE2' ' A' ' 63' ' ' PHE . 2.7 p -142.84 119.7 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.011 176.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -89.71 -25.24 21.29 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.741 -174.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -80.98 -6.51 58.85 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.054 -175.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -55.52 -23.75 28.06 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.477 0.656 . . . . 0.0 109.51 177.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.529 ' HB3' HH21 ' A' ' 74' ' ' ARG . 10.4 tp10 -41.13 -39.12 1.2 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 114.2 -1.364 . . . . 0.0 111.664 171.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.529 HH21 ' HB3' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -69.75 -55.31 10.23 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.019 0.438 . . . . 0.0 111.315 -179.031 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -79.94 3.58 19.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.914 -170.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -60.51 -39.54 88.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.911 0.386 . . . . 0.0 111.308 -170.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -95.48 14.74 64.51 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.627 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -110.36 -179.92 3.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.623 -0.339 . . . . 0.0 110.657 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.441 HG13 ' HA ' ' A' ' 60' ' ' VAL . 3.4 p -83.89 100.81 7.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.58 0.705 . . . . 0.0 110.35 -177.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 84.3 t -112.51 128.28 69.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.799 -173.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.8 tp -102.52 117.76 35.4 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 168.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -96.92 102.11 13.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.53 0.681 . . . . 0.0 110.36 -177.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.587 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -111.92 145.19 32.21 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.484 -177.157 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -57.11 143.63 92.49 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.749 2.3 . . . . 0.0 111.79 175.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 8.3 p -62.03 -22.01 27.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.635 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -171.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.2 m -74.68 -28.73 60.95 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.454 ' N ' ' HD2' ' A' ' 88' ' ' PRO . . . -60.58 -51.61 78.62 Favored Pre-proline 0 CA--C 1.542 0.64 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -170.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.498 ' HB2' ' HG ' ' A' ' 25' ' ' LEU . 37.1 Cg_endo -64.14 -5.86 10.29 Favored 'Trans proline' 0 C--N 1.356 0.957 0 C-N-CA 122.402 2.068 . . . . 0.0 113.76 -174.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.848 HD12 ' HE2' ' A' ' 20' ' ' MET . 59.0 mt -82.33 -37.93 14.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.803 0.335 . . . . 0.0 110.409 179.075 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -96.07 -38.62 10.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.935 0.398 . . . . 0.0 111.417 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.781 ' HB3' ' HB3' ' A' ' 94' ' ' LYS . 30.4 m-20 -123.07 43.01 3.05 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.746 -170.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.726 ' O ' HG13 ' A' ' 95' ' ' VAL . . . -54.19 -47.12 72.43 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -64.83 -33.01 74.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.392 0.615 . . . . 0.0 110.183 178.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.781 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 38.0 ttmt -74.43 -39.1 62.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.207 -176.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.726 HG13 ' O ' ' A' ' 92' ' ' ALA . 3.6 p -66.07 -35.74 75.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.082 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.478 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 72.1 mt -62.5 -49.18 84.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.107 -0.952 . . . . 0.0 110.25 174.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -63.06 -34.57 77.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.065 178.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.44 96.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.821 178.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.88 -33.22 75.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.04 0.447 . . . . 0.0 110.563 177.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 92.9 mt -66.04 -29.12 69.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.967 177.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.896 ' HA ' ' HA ' ' A' ' 105' ' ' GLU . . . -62.22 -22.9 66.32 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -178.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.54 -39.34 88.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.685 -178.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 104' ' ' ASP . 28.2 pt -115.93 -45.51 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -177.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.404 ' N ' HG13 ' A' ' 103' ' ' ILE . 2.0 m-20 -84.65 -41.3 16.47 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.824 0.345 . . . . 0.0 110.295 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.896 ' HA ' ' HA ' ' A' ' 101' ' ' ALA . 39.2 tt0 59.86 82.91 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.666 -177.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt . . . . . 0 C--O 1.247 0.96 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.957 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 120.818 0.342 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -103.12 84.16 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.962 0.41 . . . . 0.0 110.661 178.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 -77.68 122.7 25.7 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 176.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.859 ' HD2' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -85.43 116.23 23.62 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.656 179.062 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.613 HG23 HG23 ' A' ' 60' ' ' VAL . 42.9 mt -126.26 132.83 70.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.141 -171.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.693 HG13 ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -106.6 125.29 62.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 171.562 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -131.21 127.84 38.73 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.812 -175.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.3 t -110.72 122.07 64.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.151 0.5 . . . . 0.0 110.588 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.4 p -104.89 121.13 43.05 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.514 175.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.429 ' HB1' HG11 ' A' ' 65' ' ' VAL . . . -153.54 99.64 2.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.551 0.215 . . . . 0.0 111.124 -177.049 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.704 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 48.7 t -116.69 143.07 46.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.679 0.276 . . . . 0.0 110.7 -178.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.489 ' HB2' ' HB ' ' A' ' 67' ' ' THR . . . -102.25 -14.19 17.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.175 0.512 . . . . 0.0 110.205 177.406 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.2 m -68.28 -58.79 3.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.299 178.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.76 125.22 2.78 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.899 -178.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.3 t -65.19 -42.09 93.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.857 0.361 . . . . 0.0 111.2 -177.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.75 -31.43 72.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.067 0.46 . . . . 0.0 110.924 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.6 m170 -69.78 -40.84 75.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.882 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.649 HG21 HG22 ' A' ' 40' ' ' THR . 25.7 m -56.48 -49.74 73.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.894 177.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.423 ' O ' ' HG3' ' A' ' 23' ' ' GLN . 38.7 t80 -73.77 -42.22 61.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.468 -173.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.573 ' HE1' HD12 ' A' ' 89' ' ' ILE . 40.8 ttp -66.36 -29.32 69.47 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 121.191 -0.203 . . . . 0.0 111.088 -177.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.522 ' HA ' HG12 ' A' ' 89' ' ' ILE . . . -60.57 -44.35 96.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.729 0.299 . . . . 0.0 110.347 177.089 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.6 -39.35 93.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.994 179.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 19' ' ' TYR . 47.2 mt-30 -65.66 -48.82 70.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.134 -178.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.11 -40.06 82.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.969 0.414 . . . . 0.0 110.684 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.518 ' HA ' ' HB2' ' A' ' 92' ' ' ALA . 45.6 tp -61.1 -43.04 99.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.452 177.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -59.65 -45.33 92.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.265 176.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -56.39 -44.86 80.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.747 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.95 -40.72 95.46 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.669 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.79 -41.17 79.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.797 0.332 . . . . 0.0 110.852 -178.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -63.62 -38.99 93.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.312 176.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -63.66 -31.01 72.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.272 -0.877 . . . . 0.0 111.052 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 22.9 mmt -90.7 -17.76 26.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.989 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.54 34.46 11.8 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.1 -0.572 . . . . 0.0 112.942 177.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -98.71 -178.19 3.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.945 0.402 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.48 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 90.7 mt -117.31 97.57 5.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.549 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.7 tt -109.73 139.47 32.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.217 0.532 . . . . 0.0 111.224 -175.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.586 ' HG3' HD22 ' A' ' 50' ' ' LEU . 21.8 tptm -122.55 100.81 7.12 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 173.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.9 p -101.34 143.52 14.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.661 -173.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.72 ' HG3' ' H ' ' A' ' 49' ' ' GLU . 30.2 tt0 -120.4 126.77 51.29 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.654 177.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.649 HG22 HG21 ' A' ' 18' ' ' THR . 90.9 m -99.92 114.62 27.98 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 171.626 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.606 ' HG3' HG12 ' A' ' 46' ' ' ILE . 8.4 tt0 -117.87 98.74 6.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.276 0.56 . . . . 0.0 110.225 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.73 60.5 4.66 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.707 -0.758 . . . . 0.0 111.889 -178.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 59.54 88.65 0.07 Allowed 'General case' 0 C--O 1.234 0.242 0 C-N-CA 122.978 0.511 . . . . 0.0 110.796 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.3 m 77.06 -39.78 0.34 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.69 -178.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -77.88 96.95 1.34 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.603 178.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.606 HG12 ' HG3' ' A' ' 41' ' ' GLN . 39.5 mt -95.09 127.03 47.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 120.706 0.288 . . . . 0.0 110.714 -176.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -82.5 -42.71 18.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.427 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.459 ' HB2' ' HA ' ' A' ' 39' ' ' GLU . 8.9 m120 -108.95 -60.58 1.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.062 -172.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.72 ' H ' ' HG3' ' A' ' 39' ' ' GLU . 34.4 tt0 76.05 111.46 0.07 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.991 0.917 . . . . 0.0 111.22 -177.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.623 HD12 ' HB ' ' A' ' 6' ' ' ILE . 38.7 mt -86.2 116.47 24.41 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.867 176.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.506 ' O ' HG23 ' A' ' 55' ' ' VAL . 72.9 p -81.41 166.6 20.25 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 -179.196 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -55.02 -33.62 62.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.34 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.425 ' O ' HG12 ' A' ' 57' ' ' ILE . 88.6 mttt -66.47 -43.96 84.03 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.673 178.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -58.12 -43.42 87.19 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.391 0.615 . . . . 0.0 109.787 176.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.545 HG11 ' HG3' ' A' ' 74' ' ' ARG . 70.1 t -64.74 -37.03 79.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.597 -1.183 . . . . 0.0 112.117 -177.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -80.49 -19.02 46.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.348 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 53' ' ' LYS . 44.3 mm -84.6 -57.42 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.517 ' HA3' HG22 ' A' ' 6' ' ' ILE . . . -57.99 128.92 48.72 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.449 176.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.423 ' HG3' ' HG2' ' A' ' 4' ' ' LYS . 43.4 mt-10 -85.81 -60.02 2.14 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.843 0.354 . . . . 0.0 110.674 -175.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.635 ' HA ' HG13 ' A' ' 79' ' ' VAL . 20.2 m -93.96 141.08 15.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.615 -177.121 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.639 HG21 HD13 ' A' ' 6' ' ' ILE . 17.9 t -109.56 113.65 44.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.335 -177.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 63.7 mt -93.7 113.29 28.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.989 0.423 . . . . 0.0 110.014 177.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.426 ' HD1' ' HA ' ' A' ' 63' ' ' PHE . 2.1 m-85 -105.53 102.53 11.98 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.126 0.489 . . . . 0.0 111.038 179.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.626 ' HB3' ' HA ' ' A' ' 85' ' ' VAL . . . -108.26 90.03 3.17 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 171.345 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.429 HG11 ' HB1' ' A' ' 10' ' ' ALA . 18.2 m -137.7 161.59 33.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.712 0.768 . . . . 0.0 112.349 -169.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.704 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 17.7 t70 -137.24 -2.69 2.01 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.131 -1.395 . . . . 0.0 108.978 178.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.489 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 5.9 t -141.82 -171.51 3.36 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.85 -176.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm -72.84 156.66 38.66 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.204 0.526 . . . . 0.0 111.549 -177.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.789 ' HB ' ' HB2' ' A' ' 72' ' ' LYS . 56.1 t -129.07 121.33 53.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.361 173.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -74.79 -34.88 62.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.691 0.282 . . . . 0.0 111.43 -176.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.505 HD22 ' HG3' ' A' ' 49' ' ' GLU . 87.0 m-20 -82.39 -7.14 59.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.463 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.789 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 38.5 ttpt -55.34 -29.36 58.18 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 122.772 0.429 . . . . 0.0 111.977 -175.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -51.23 -33.61 28.68 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -175.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.545 ' HG3' HG11 ' A' ' 55' ' ' VAL . 7.5 ptp180 -87.17 -15.77 37.34 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -174.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.693 ' CE1' HG13 ' A' ' 6' ' ' ILE . 40.5 m-85 -88.91 3.7 50.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.849 0.357 . . . . 0.0 110.258 176.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -56.31 -51.88 66.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.457 -176.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -96.82 36.52 3.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.64 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -129.17 173.62 10.31 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.635 HG13 ' HA ' ' A' ' 60' ' ' VAL . 4.2 p -82.08 119.48 31.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.283 0.563 . . . . 0.0 110.979 -176.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.8 t -113.61 135.04 54.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.858 -173.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -111.4 115.34 29.1 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 173.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -96.13 120.4 36.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 -173.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.557 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 5.2 m -141.75 154.72 66.22 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.29 174.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.85 151.56 74.03 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.222 1.948 . . . . 0.0 110.737 173.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.626 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 9.1 p -62.7 -23.4 32.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.124 0.488 . . . . 0.0 110.958 -177.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.0 m -74.02 -19.44 60.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.75 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.602 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -71.63 -55.63 5.56 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -174.315 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.602 ' HD3' ' HB3' ' A' ' 87' ' ' ALA . 30.6 Cg_exo -62.89 -14.56 41.76 Favored 'Trans proline' 0 C--N 1.359 1.082 0 C-N-CA 122.491 2.127 . . . . 0.0 113.469 -174.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.573 HD12 ' HE1' ' A' ' 20' ' ' MET . 50.9 mt -73.6 -44.67 52.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.094 0.473 . . . . 0.0 110.57 179.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -96.47 -31.11 12.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.602 -178.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.569 ' HB3' ' HB2' ' A' ' 94' ' ' LYS . 20.6 m-20 -124.79 42.23 3.32 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -173.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.518 ' HB2' ' HA ' ' A' ' 25' ' ' LEU . . . -52.55 -52.04 56.82 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -178.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -61.72 -27.28 68.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.707 0.289 . . . . 0.0 111.367 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.569 ' HB2' ' HB3' ' A' ' 91' ' ' ASP . 30.4 mmtp -73.03 -46.86 49.55 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.434 HG21 ' O ' ' A' ' 91' ' ' ASP . 65.2 t -60.65 -40.12 83.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.073 -179.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 92' ' ' ALA . 90.8 mt -61.52 -48.92 86.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.679 178.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -65.98 -28.96 69.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.38 -40.53 97.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.973 0.416 . . . . 0.0 110.68 178.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.75 -41.75 98.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.13 0.491 . . . . 0.0 110.316 177.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.75 -30.54 70.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.863 176.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.552 ' HA ' ' HA ' ' A' ' 105' ' ' GLU . . . -72.67 -21.56 61.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.275 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -82.04 -23.75 35.72 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.38 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 28.5 pt -101.77 -40.04 7.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -177.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -121.91 -25.42 5.0 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.805 -177.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.552 ' HA ' ' HA ' ' A' ' 101' ' ' ALA . 40.3 mt-10 65.76 89.65 0.1 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.34 0.591 . . . . 0.0 110.257 -173.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.5 tttp . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.356 -0.83 . . . . 0.0 110.024 -176.671 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.477 0.915 0 CA-C-O 120.914 0.388 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -85.24 94.5 8.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.086 0.469 . . . . 0.0 109.766 -179.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.984 ' HD2' ' HG3' ' A' ' 59' ' ' GLU . 21.4 tpp180 -69.82 128.51 36.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.468 -173.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.675 ' HD2' ' HB2' ' A' ' 35' ' ' LEU . 14.0 mmmm -86.12 125.45 33.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.99 0.424 . . . . 0.0 110.545 173.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 68.3 mt -125.48 131.88 71.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.707 176.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.643 ' H ' HD12 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -102.62 126.92 56.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 173.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -131.15 112.17 12.61 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -176.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.41 ' HB ' ' CD1' ' A' ' 63' ' ' PHE . 60.3 t -96.48 120.07 45.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.152 0.501 . . . . 0.0 110.026 179.184 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.61 HG23 ' HB1' ' A' ' 64' ' ' ALA . 23.5 p -106.89 134.55 49.88 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.009 178.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.554 ' HA ' ' O ' ' A' ' 41' ' ' GLN . . . -152.65 154.46 35.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.721 0.296 . . . . 0.0 111.148 -178.394 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 1.046 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 40.1 t -163.69 142.93 8.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.775 175.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.29 -33.96 17.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.741 0.305 . . . . 0.0 111.096 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.8 p -105.47 -72.5 0.71 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -177.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.56 68.87 3.34 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.251 -0.499 . . . . 0.0 112.888 -175.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -64.32 -19.43 24.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.77 0.319 . . . . 0.0 111.705 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.02 -32.78 70.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.119 0.485 . . . . 0.0 110.607 175.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -72.82 -31.3 64.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.36 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.428 HG22 ' HB ' ' A' ' 9' ' ' THR . 22.7 m -61.65 -49.02 78.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.943 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -70.08 -33.35 71.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.344 -177.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.7 tpt -69.53 -44.91 70.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 0.0 110.629 177.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.423 ' HB3' ' HB2' ' A' ' 88' ' ' PRO . . . -60.2 -38.09 82.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.59 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.617 ' HA ' HG12 ' A' ' 38' ' ' VAL . . . -58.1 -47.3 83.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.091 178.009 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -67.36 -40.29 85.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.57 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.81 -46.31 65.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.397 -178.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.555 HD23 ' HB3' ' A' ' 88' ' ' PRO . 77.1 mt -60.55 -46.16 91.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.041 0.448 . . . . 0.0 110.868 177.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.601 ' HA ' HG22 ' A' ' 36' ' ' ILE . 85.6 tttt -61.84 -44.22 97.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.512 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.516 ' NZ ' ' HB2' ' A' ' 27' ' ' LYS . 2.6 ttmp? -61.48 -47.73 84.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.116 -177.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.85 -50.31 68.98 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.327 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.75 -44.67 96.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.525 0.202 . . . . 0.0 111.177 179.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -62.5 -35.56 79.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.049 178.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.411 ' HE2' ' HB3' ' A' ' 31' ' ' LYS . 36.9 ttpt -67.95 -37.1 81.17 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.584 179.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.2 mmt -84.75 3.27 38.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.384 -178.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.58 14.06 68.91 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 120.838 -0.696 . . . . 0.0 113.089 175.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -97.78 170.43 8.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.021 0.439 . . . . 0.0 110.538 -178.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.675 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 87.3 mt -122.42 99.49 6.44 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.142 -179.009 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.601 HG22 ' HA ' ' A' ' 26' ' ' LYS . 15.0 tt -105.2 140.18 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.966 -177.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.463 ' HB3' HD21 ' A' ' 50' ' ' LEU . 5.8 tmtt? -115.88 105.49 12.73 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 175.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.617 HG12 ' HA ' ' A' ' 22' ' ' ALA . 34.7 t -92.28 120.23 41.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.103 -175.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.608 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 34.3 tt0 -95.12 139.08 31.96 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.197 178.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 25.0 m -117.61 112.83 21.07 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 120.891 0.377 . . . . 0.0 110.99 -176.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.554 ' O ' ' HA ' ' A' ' 10' ' ' ALA . 46.7 tt0 -115.11 134.72 54.91 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 177.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -107.83 -86.21 1.81 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.187 -1.006 . . . . 0.0 111.457 177.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -139.62 107.08 5.55 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.6 p 52.87 25.48 3.94 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.421 0.689 . . . . 0.0 111.7 -175.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.85 128.94 3.24 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.642 -0.583 . . . . 0.0 111.642 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.0 mt -118.0 122.8 70.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -178.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -88.36 -69.58 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.441 -175.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.53 ' HB2' ' HA ' ' A' ' 39' ' ' GLU . 75.4 m-20 -84.6 64.99 8.79 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.591 0.234 . . . . 0.0 110.813 -177.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -57.01 114.36 2.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.269 -178.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.608 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 81.8 mt -72.04 141.05 49.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.199 -178.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.45 ' O ' HG22 ' A' ' 55' ' ' VAL . 44.3 p -79.06 160.72 26.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.553 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -60.51 -38.55 84.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.313 0.578 . . . . 0.0 109.983 177.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.523 ' O ' HG12 ' A' ' 57' ' ' ILE . 47.0 mtmt -62.68 -49.09 76.49 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.905 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -59.56 -38.83 82.13 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.588 HG12 ' HG3' ' A' ' 74' ' ' ARG . 77.8 t -64.59 -42.76 96.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.331 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -73.56 -34.04 64.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.607 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.523 HG12 ' O ' ' A' ' 53' ' ' LYS . 46.4 mm -77.72 -35.97 21.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.033 0.444 . . . . 0.0 110.434 179.134 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.461 ' HA2' ' O ' ' A' ' 4' ' ' LYS . . . -64.57 131.69 37.83 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.17 176.102 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.984 ' HG3' ' HD2' ' A' ' 3' ' ' ARG . 6.1 mm-40 -78.04 -66.4 0.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.257 0.551 . . . . 0.0 109.985 -177.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 28.3 m -101.65 150.27 6.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.263 -176.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 20.4 t -110.24 114.75 47.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.057 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.9 mt -91.88 114.83 29.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.41 ' CD1' ' HB ' ' A' ' 8' ' ' VAL . 4.0 m-85 -103.85 95.41 6.0 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.788 0.328 . . . . 0.0 110.755 177.035 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.61 ' HB1' HG23 ' A' ' 9' ' ' THR . . . -97.28 89.81 4.88 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 171.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.2 m -131.82 -169.11 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.456 0.646 . . . . 0.0 112.605 -167.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 1.046 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 23.4 t70 -157.71 -34.89 0.07 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.261 -1.336 . . . . 0.0 108.556 -174.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.6 t -117.12 -175.96 2.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.931 -1.031 . . . . 0.0 108.623 171.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -80.4 158.59 25.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.975 0.417 . . . . 0.0 110.735 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.8 m -113.7 156.71 14.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.085 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.561 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 47.2 ttt180 -92.55 -39.58 11.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.105 0.479 . . . . 0.0 110.506 179.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.482 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 13.0 m-20 -68.81 -6.07 24.66 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.621 -172.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.472 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 21.2 pttp -49.77 -23.37 1.79 Allowed 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.104 0.253 . . . . 0.0 111.543 174.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.561 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 28.7 mt-10 -43.0 -50.32 5.91 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.285 0.634 . . . . 0.0 111.546 176.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.588 ' HG3' HG12 ' A' ' 55' ' ' VAL . 6.6 ptp180 -84.37 -25.15 29.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.544 -172.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.62 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 24.3 m-85 -81.13 -6.97 59.44 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.125 178.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -64.09 121.13 13.44 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 177.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.7 -12.03 64.52 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.501 -178.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.62 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 25.3 mtpp -93.32 172.62 8.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.67 0.271 . . . . 0.0 110.396 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.0 t -85.77 118.42 32.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -178.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.9 t -118.32 141.82 35.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.795 0.331 . . . . 0.0 111.679 -172.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -125.34 115.93 21.1 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 174.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -109.45 125.7 52.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.852 0.358 . . . . 0.0 111.898 -173.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.4 m -139.03 158.56 69.41 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.091 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -61.62 141.03 89.81 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.578 2.186 . . . . 0.0 111.149 174.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.437 ' O ' ' HD2' ' A' ' 88' ' ' PRO . 14.5 p -59.83 -27.97 39.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -176.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.7 m -74.15 -19.69 60.48 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.604 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -68.38 -54.85 13.5 Favored Pre-proline 0 CA--C 1.539 0.536 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -175.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.604 ' HD3' ' HB3' ' A' ' 87' ' ' ALA . 44.2 Cg_exo -58.68 -14.85 23.32 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 122.901 2.401 . . . . 0.0 114.052 -174.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 47.9 mt -60.08 -51.08 77.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.109 0.481 . . . . 0.0 110.171 176.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -96.92 -36.29 10.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.145 177.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.616 ' HB3' ' HB3' ' A' ' 94' ' ' LYS . 3.3 m-20 -98.21 33.41 2.19 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.816 -173.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.78 -51.23 64.11 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.67 0.271 . . . . 0.0 111.245 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -64.46 -33.07 75.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.188 -179.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.616 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 29.3 tptp -68.81 -40.93 79.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.804 -178.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 91' ' ' ASP . 74.4 t -70.16 -44.77 77.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.04 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.04 -44.65 99.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.741 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -67.23 -38.79 85.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.203 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.38 99.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.831 0.348 . . . . 0.0 110.837 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.24 -38.92 91.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.945 179.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 98.9 mt -74.71 -31.34 61.83 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.107 178.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.769 ' HA ' ' HA ' ' A' ' 105' ' ' GLU . . . -66.99 -37.98 85.19 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -175.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.507 HD11 ' C ' ' A' ' 102' ' ' LEU . 2.3 pp -73.49 -5.86 42.76 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -176.158 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.494 HG23 HD11 ' A' ' 102' ' ' LEU . 23.1 pt -112.93 -33.38 2.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 120.963 0.411 . . . . 0.0 110.462 172.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -153.35 -79.26 0.1 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.137 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.769 ' HA ' ' HA ' ' A' ' 101' ' ' ALA . 37.6 tt0 176.35 -44.95 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.309 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? . . . . . 0 C--O 1.249 1.067 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.115 175.565 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 36.8 mtmm . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.577 0.227 . . . . 0.0 110.702 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.43 ' HE ' ' CD ' ' A' ' 59' ' ' GLU . 3.5 tpt180 -74.48 141.36 44.94 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.509 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 27.6 mmtp -90.75 114.1 26.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.483 -176.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.567 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 70.5 mt -134.77 139.88 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.55 0.214 . . . . 0.0 110.806 -177.519 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.903 HG22 ' HB2' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -118.28 146.06 23.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 171.926 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -144.23 132.26 21.61 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 121.251 -0.179 . . . . 0.0 110.7 -176.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.404 HG11 ' CG1' ' A' ' 69' ' ' VAL . 46.8 t -105.75 131.17 55.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.001 0.429 . . . . 0.0 110.859 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.6 p -119.38 126.39 51.28 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.639 176.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.468 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -152.87 127.98 9.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.058 0.456 . . . . 0.0 111.622 -176.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.6 t -149.26 147.44 28.38 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.521 ' HA ' ' HB2' ' A' ' 43' ' ' ALA . . . -92.14 -75.14 0.49 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.019 0.438 . . . . 0.0 110.81 -177.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 p -95.56 94.52 7.81 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.298 0.571 . . . . 0.0 110.528 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 129.57 48.08 0.15 Allowed Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -175.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.7 m -66.98 -14.26 17.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 N-CA-C 111.722 0.268 . . . . 0.0 111.722 -176.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.46 -33.0 67.52 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 175.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -63.78 -53.03 57.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.163 174.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.499 HG22 HG23 ' A' ' 40' ' ' THR . 5.6 m -53.28 -53.87 44.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.687 -176.581 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.588 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 82.1 m-85 -67.56 -46.61 72.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.507 -176.025 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.6 tpp -61.67 -41.95 98.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.754 0.312 . . . . 0.0 110.786 -178.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.06 -47.56 82.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.575 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.47 -31.59 71.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.285 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 19' ' ' TYR . 27.3 mm-40 -76.5 -52.99 8.73 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 121.103 -0.239 . . . . 0.0 110.67 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.69 -43.44 98.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.952 0.406 . . . . 0.0 111.103 -177.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.3 tp -60.8 -42.31 97.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.679 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -64.89 -45.67 84.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.303 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -59.39 -48.12 82.84 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.057 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.26 -45.16 96.56 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.631 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.95 -39.42 94.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.934 0.397 . . . . 0.0 111.067 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -68.91 -38.81 79.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.527 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -64.21 -37.74 88.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.625 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 87.4 mmm -74.5 -21.2 59.68 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.646 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.91 51.91 2.91 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.764 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.57 ' HA ' ' HA ' ' A' ' 2' ' ' LYS . 42.8 m-80 -126.65 -177.85 4.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.702 0.287 . . . . 0.0 110.612 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.488 ' HG ' ' HB3' ' A' ' 2' ' ' LYS . 83.8 mt -120.51 110.2 16.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.793 177.108 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.567 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 15.6 tt -120.98 143.56 32.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.087 0.47 . . . . 0.0 111.161 -175.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.903 ' HB2' HG22 ' A' ' 6' ' ' ILE . 68.2 mmtt -115.49 102.73 10.07 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.285 175.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.5 t -96.81 116.65 39.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.005 0.431 . . . . 0.0 110.599 -177.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 28.8 tt0 -94.44 132.66 38.85 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.521 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.499 HG23 HG22 ' A' ' 18' ' ' THR . 56.5 m -118.69 113.38 21.09 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.775 0.321 . . . . 0.0 110.817 -176.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.87 ' HG2' HG12 ' A' ' 46' ' ' ILE . 20.0 mt-30 -103.69 115.69 30.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.72 175.735 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.02 63.85 3.79 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.254 -1.139 . . . . 0.0 110.254 171.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.521 ' HB2' ' HA ' ' A' ' 12' ' ' ALA . . . 75.5 -73.26 0.09 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 124.099 0.96 . . . . 0.0 110.581 -175.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.8 m -112.86 -33.63 6.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.035 0.445 . . . . 0.0 110.644 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.8 111.42 3.24 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.735 -177.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.87 HG12 ' HG2' ' A' ' 41' ' ' GLN . 40.1 mt -85.38 120.92 36.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -96.31 -16.93 21.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.769 0.319 . . . . 0.0 111.674 -174.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.46 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 65.5 t30 -140.68 82.46 1.85 Allowed 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.307 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -76.2 111.65 11.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.227 -174.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 70.0 mt -82.01 117.16 22.01 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.063 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.2 p -82.09 176.64 9.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.737 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -53.73 -40.19 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.485 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.568 ' O ' HG13 ' A' ' 57' ' ' ILE . 25.1 ttpp -53.09 -55.95 19.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.299 176.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -66.09 -39.16 89.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.335 0.588 . . . . 0.0 110.544 -174.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.802 HG21 ' HG3' ' A' ' 74' ' ' ARG . 38.9 t -67.72 -32.23 55.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.598 -178.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -79.89 -21.35 44.11 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.824 177.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.568 HG13 ' O ' ' A' ' 53' ' ' LYS . 87.7 mt -68.8 -56.89 10.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 174.492 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.475 ' HA3' HG23 ' A' ' 6' ' ' ILE . . . -72.88 135.49 21.66 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.905 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 9.0 pt-20 -90.14 -45.15 9.31 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.371 -0.488 . . . . 0.0 110.961 -178.127 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.631 HG11 ' HB1' ' A' ' 99' ' ' ALA . 39.2 t -93.87 135.61 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.682 HG22 HD11 ' A' ' 6' ' ' ILE . 23.6 t -110.06 109.44 28.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.37 177.194 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.1 mt -91.22 128.46 42.98 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -112.92 107.77 16.46 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.744 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.676 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -118.3 90.69 3.39 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 173.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 10' ' ' ALA . 27.3 m -140.95 152.49 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.941 -170.192 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -105.21 -19.78 13.71 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.583 169.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.8 t -125.84 -172.96 2.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.257 -176.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -78.19 161.33 27.4 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.24 0.543 . . . . 0.0 111.703 -175.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.709 ' HB ' ' HB3' ' A' ' 72' ' ' LYS . 48.2 t -114.83 144.1 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.188 177.57 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.621 ' HB2' HD11 ' A' ' 46' ' ' ILE . 52.4 mtp180 -92.62 -40.87 10.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.899 0.38 . . . . 0.0 110.998 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.648 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 10.4 m120 -79.32 -5.9 55.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.318 -178.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.709 ' HB3' ' HB ' ' A' ' 69' ' ' VAL . 22.1 pttp -48.42 -24.97 1.42 Allowed 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.488 0.492 . . . . 0.0 112.081 -177.271 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -51.67 -42.59 62.25 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.251 0.345 . . . . 0.0 111.706 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.802 ' HG3' HG21 ' A' ' 55' ' ' VAL . 12.2 ptp180 -80.98 -27.54 35.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.732 0.301 . . . . 0.0 111.596 -177.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.593 ' HB3' HG11 ' A' ' 61' ' ' VAL . 90.8 m-85 -77.67 -29.23 51.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.877 178.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -66.32 128.44 36.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.637 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.07 -10.88 48.22 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -176.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.429 ' HE2' ' O ' ' A' ' 55' ' ' VAL . 18.5 mtpp -100.56 174.19 6.2 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 176.341 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.402 HG13 ' HA ' ' A' ' 60' ' ' VAL . 6.9 p -84.53 121.28 36.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -177.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.663 HG12 ' HB ' ' A' ' 61' ' ' VAL . 3.2 m -121.92 160.23 23.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.584 0.706 . . . . 0.0 112.268 -170.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -129.46 103.22 6.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.522 175.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -93.86 121.85 35.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.396 -174.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.6 m -141.06 164.04 38.38 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.402 178.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -62.94 148.98 92.87 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.303 2.002 . . . . 0.0 111.214 173.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.676 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 12.7 p -64.31 -24.06 34.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.213 0.53 . . . . 0.0 111.075 -177.351 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.6 p -74.67 -20.13 60.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.938 178.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.57 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -63.67 -53.61 49.38 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -174.223 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.57 ' HD3' ' HB3' ' A' ' 87' ' ' ALA . 23.4 Cg_exo -65.55 -3.58 8.06 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 122.428 2.086 . . . . 0.0 113.208 -177.439 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 81.4 mt -83.25 -45.0 18.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.091 0.472 . . . . 0.0 110.257 176.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -96.53 -29.52 13.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.598 -176.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.492 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.8 OUTLIER -130.95 42.99 3.17 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -173.659 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' A' ' 88' ' ' PRO . . . -52.37 -51.39 59.21 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -177.534 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.443 ' H ' ' CD ' ' A' ' 93' ' ' GLU . 1.5 mp0 -60.12 -33.15 71.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.142 0.496 . . . . 0.0 110.514 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.483 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 1.1 tppp? -71.6 -39.37 70.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.838 -178.042 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 91' ' ' ASP . 59.6 t -63.68 -38.83 83.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.46 177.14 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 92' ' ' ALA . 76.9 mt -63.11 -42.12 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.297 176.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -63.71 -36.73 84.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.712 176.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.69 -40.22 96.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.631 ' HB1' HG11 ' A' ' 60' ' ' VAL . . . -60.29 -42.17 94.92 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.319 0.581 . . . . 0.0 110.163 176.309 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.97 -29.09 69.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.754 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.11 -19.15 62.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.753 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.02 -21.34 31.67 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.642 0.258 . . . . 0.0 111.336 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.0 pt -113.9 -24.98 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -177.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.1 t70 . . . . . 0 C--N 1.325 -0.462 0 CA-C-O 120.768 0.318 . . . . 0.0 110.42 -174.749 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.65 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 46.2 pttt . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 121.362 0.601 . . . . 0.0 111.393 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 0.6 OUTLIER -84.47 133.7 34.47 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 176.159 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.561 ' HG3' ' HG3' ' A' ' 59' ' ' GLU . 4.6 ptpt -92.56 116.6 29.14 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.35 0.595 . . . . 0.0 110.983 -177.489 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.503 HG23 HG23 ' A' ' 60' ' ' VAL . 50.1 mt -129.38 140.43 49.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.478 -174.092 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.793 HD11 HG22 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -114.52 137.15 48.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 173.198 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.46 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -138.0 132.31 32.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.832 0.348 . . . . 0.0 111.006 -175.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -108.84 116.2 51.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.474 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.1 p -100.97 114.13 27.75 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.201 174.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.66 ' HA ' ' O ' ' A' ' 41' ' ' GLN . . . -136.37 109.14 7.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.171 0.51 . . . . 0.0 111.128 -177.171 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.425 ' HB2' HG21 ' A' ' 85' ' ' VAL . 45.5 t -119.4 128.44 54.05 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.585 -178.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.08 -10.65 17.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.356 177.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.3 m -84.74 -51.53 6.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.467 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.4 108.53 0.7 Allowed Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.564 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.4 t -56.33 -32.14 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.877 0.37 . . . . 0.0 111.278 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.03 -35.48 71.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.969 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.7 m170 -66.27 -33.13 75.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.155 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.416 HG22 HG22 ' A' ' 40' ' ' THR . 25.6 m -58.32 -51.64 68.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.125 0.488 . . . . 0.0 110.8 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -75.95 -33.64 59.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.848 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.443 ' SD ' HD13 ' A' ' 89' ' ' ILE . 48.7 ttm -62.64 -48.84 77.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.852 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.478 ' HA ' HG12 ' A' ' 89' ' ' ILE . . . -65.37 -47.82 75.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.943 -177.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.01 -42.7 85.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.513 -178.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -70.49 -47.43 60.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.279 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.55 -43.3 90.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.042 0.448 . . . . 0.0 110.951 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.596 ' HB2' ' HB2' ' A' ' 88' ' ' PRO . 57.9 tp -60.67 -48.95 79.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.983 177.294 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -67.91 -30.31 69.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -62.45 -48.09 81.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.017 177.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.66 -40.8 96.07 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.744 177.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.22 -48.26 80.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.999 0.428 . . . . 0.0 111.166 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -64.66 -32.07 73.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.253 0.549 . . . . 0.0 110.151 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -67.57 -30.29 69.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.545 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.523 ' HB2' ' ND2' ' A' ' 34' ' ' ASN . 21.8 mmt -80.99 -28.36 35.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.74 -179.011 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.88 18.73 17.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.546 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.65 ' HA ' ' HA ' ' A' ' 2' ' ' LYS . 3.8 p30 -104.42 168.22 9.24 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.031 0.443 . . . . 0.0 110.998 178.255 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.7 mt -100.5 130.42 46.58 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.674 -178.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.497 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 17.4 tt -137.34 139.34 43.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.231 0.539 . . . . 0.0 111.344 -176.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.07 102.25 9.46 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.253 177.307 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 3.6 m -93.99 130.2 43.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.079 0.466 . . . . 0.0 111.55 -179.144 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.642 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 36.8 tt0 -103.94 137.95 41.2 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.832 176.139 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.478 ' OG1' ' HB3' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -106.45 111.53 24.14 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.493 179.812 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.66 ' O ' ' HA ' ' A' ' 10' ' ' ALA . 7.8 tt0 -131.92 163.14 29.0 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.61 -72.57 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.24 -0.981 . . . . 0.0 112.138 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.86 122.1 4.64 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.1 p 52.75 26.89 4.81 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.484 0.713 . . . . 0.0 111.951 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.58 118.2 0.81 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.884 -175.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 50.2 mt -110.96 127.7 67.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 175.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.478 ' HB3' ' OG1' ' A' ' 40' ' ' THR . 40.1 tt0 -90.94 -63.48 1.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.06 -175.198 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.49 ' HB3' ' HA ' ' A' ' 39' ' ' GLU . 19.3 t-20 -69.95 -47.15 63.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.304 -175.477 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 63.38 87.97 0.1 Allowed 'General case' 0 C--O 1.236 0.345 0 O-C-N 123.726 0.641 . . . . 0.0 110.442 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.642 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 84.6 mt -66.01 110.99 3.13 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.537 0.684 . . . . 0.0 111.21 -177.652 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.479 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -74.42 156.6 36.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.431 -178.495 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -53.34 -39.27 63.97 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.904 -175.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.534 ' O ' HG13 ' A' ' 57' ' ' ILE . 24.5 mtpp -53.78 -56.92 13.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.919 177.14 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.25 -33.84 75.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -177.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 51' ' ' THR . 89.1 t -63.43 -39.47 85.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.175 178.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -83.23 -18.66 38.47 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.73 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.534 HG13 ' O ' ' A' ' 53' ' ' LYS . 77.2 mt -72.78 -63.12 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 173.656 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.52 ' HA3' HG23 ' A' ' 6' ' ' ILE . . . -55.91 126.67 40.85 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.338 177.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.561 ' HG3' ' HG3' ' A' ' 4' ' ' LYS . 35.0 mt-10 -84.99 -59.68 2.27 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -177.045 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.503 HG23 HG23 ' A' ' 5' ' ' ILE . 15.9 m -95.39 145.98 7.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.287 176.066 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.793 HG22 HD11 ' A' ' 6' ' ' ILE . 12.4 t -112.23 140.51 31.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.913 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.44 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 68.9 mt -119.45 131.14 72.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 176.244 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -116.56 110.89 19.16 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.755 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.502 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -114.53 91.22 3.55 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 174.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.515 HG12 ' HB3' ' A' ' 10' ' ' ALA . 29.7 m -142.79 156.21 17.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.094 -169.28 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -101.59 -35.46 9.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.055 168.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.4 t -107.33 -171.8 1.95 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.946 -1.025 . . . . 0.0 110.151 -175.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -78.23 157.63 29.24 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.745 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.504 ' HB ' ' HB3' ' A' ' 72' ' ' LYS . 61.1 t -115.22 133.9 60.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.907 174.008 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -67.32 -55.71 12.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.306 0.574 . . . . 0.0 110.717 175.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.582 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 87.2 m-20 -71.62 -6.2 39.15 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.766 -170.036 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.504 ' HB3' ' HB ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -55.6 -23.5 27.71 Favored 'General case' 0 C--O 1.221 -0.428 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 177.407 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -47.42 -44.76 24.95 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.379 0.672 . . . . 0.0 112.445 177.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.582 ' HG2' ' O ' ' A' ' 71' ' ' ASN . 7.7 ptp180 -81.24 -26.87 35.51 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.975 0.417 . . . . 0.0 111.232 -176.672 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.567 ' CE1' HG13 ' A' ' 6' ' ' ILE . 38.5 m-85 -84.32 -13.12 53.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.452 178.157 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -63.83 -32.31 73.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.168 -176.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -90.34 9.93 75.92 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.949 176.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -116.66 -174.49 2.58 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.421 HG13 ' HA ' ' A' ' 60' ' ' VAL . 4.6 p -97.34 118.68 44.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.948 0.404 . . . . 0.0 110.454 -178.541 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.637 HG12 ' HB ' ' A' ' 61' ' ' VAL . 2.8 m -121.56 157.42 25.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.298 0.57 . . . . 0.0 111.829 -174.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.458 ' HB2' HD11 ' A' ' 102' ' ' LEU . 2.5 tm? -126.5 111.63 14.63 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 173.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -95.61 131.75 41.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.961 -174.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.5 m -142.27 163.67 38.14 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.166 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -64.43 153.75 75.29 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.214 1.943 . . . . 0.0 110.952 171.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.502 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 9.4 p -65.07 -25.85 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.024 0.44 . . . . 0.0 111.076 -177.165 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.47 ' HA ' HD12 ' A' ' 89' ' ' ILE . 30.4 t -74.49 -21.3 59.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.012 0.434 . . . . 0.0 111.179 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.0 -55.36 38.27 Favored Pre-proline 0 CA--C 1.537 0.46 0 N-CA-C 112.737 0.644 . . . . 0.0 112.737 -173.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.596 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 57.8 Cg_endo -69.27 -7.2 20.26 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 121.962 1.775 . . . . 0.0 112.994 -176.555 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.478 HG12 ' HA ' ' A' ' 21' ' ' ALA . 68.7 mt -77.92 -43.24 28.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.276 0.56 . . . . 0.0 109.737 176.337 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -97.05 -43.41 7.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.43 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.486 ' HB3' ' HB3' ' A' ' 94' ' ' LYS . 41.3 m-20 -115.36 40.92 2.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.538 -169.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.596 ' O ' HG12 ' A' ' 95' ' ' VAL . . . -56.87 -38.87 73.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.855 0.359 . . . . 0.0 110.959 178.389 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -59.09 -40.88 86.64 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.286 0.565 . . . . 0.0 110.433 176.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.686 ' HA ' ' HE3' ' A' ' 94' ' ' LYS . 1.8 tpmt? -73.61 -41.72 62.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.52 -175.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.596 HG12 ' O ' ' A' ' 92' ' ' ALA . 5.3 p -65.59 -39.56 85.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.375 -178.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.25 -50.94 77.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.544 174.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -61.59 -36.12 79.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.197 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.56 -36.99 84.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.299 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.88 94.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.688 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.66 -30.66 71.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.105 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.0 -17.4 64.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.848 0.356 . . . . 0.0 111.382 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.458 HD11 ' HB2' ' A' ' 81' ' ' LEU . 94.0 mt -75.33 -26.92 59.02 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.509 -179.138 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 104' ' ' ASP . 19.6 pt -128.37 -49.05 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -175.591 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.42 ' N ' HG13 ' A' ' 103' ' ' ILE . 27.8 m-20 . . . . . 0 C--N 1.327 -0.388 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -172.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp . . . . . 0 N--CA 1.472 0.628 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.437 ' HD2' ' CG ' ' A' ' 59' ' ' GLU . 2.9 tpp180 -155.32 143.95 20.5 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.806 172.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.43 ' HD2' ' HB2' ' A' ' 35' ' ' LEU . 13.6 mmmm -79.86 122.0 26.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.092 0.472 . . . . 0.0 110.737 176.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 67.8 mt -127.2 133.89 67.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.29 176.399 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.602 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.1 OUTLIER -111.8 132.5 60.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 120.907 0.384 . . . . 0.0 110.147 177.92 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.472 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -135.98 129.59 32.33 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.863 -176.189 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.614 HG11 HG21 ' A' ' 69' ' ' VAL . 61.9 t -108.8 131.04 60.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.112 0.482 . . . . 0.0 110.618 178.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.485 ' O ' ' HA ' ' A' ' 40' ' ' THR . 17.0 p -115.6 115.94 27.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.373 175.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.517 ' HA ' ' O ' ' A' ' 41' ' ' GLN . . . -139.61 106.59 5.43 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.833 0.349 . . . . 0.0 111.27 -175.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.612 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 52.2 t -148.26 126.03 11.88 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.941 179.054 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.674 ' HB3' HG21 ' A' ' 67' ' ' THR . . . -108.91 -19.37 13.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.033 -178.641 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.4 p -76.83 -42.0 42.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.243 0.544 . . . . 0.0 110.468 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -126.38 79.62 0.37 Allowed Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.403 177.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 m -60.25 -28.68 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -174.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.8 -27.79 67.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.099 0.476 . . . . 0.0 110.819 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -74.52 -38.99 62.65 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.612 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 1.5 m -59.96 -58.61 7.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.463 -178.393 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -66.08 -27.59 68.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.587 -175.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.8 tpp -67.21 -58.64 4.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.242 176.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.11 -39.78 83.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.137 -177.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.514 ' O ' ' HG3' ' A' ' 26' ' ' LYS . . . -53.94 -57.23 11.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.15 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.488 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 76.6 mt-30 -71.96 -33.7 68.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.166 -177.492 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.77 -43.41 94.36 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.887 0.375 . . . . 0.0 110.482 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.557 HD21 ' HB3' ' A' ' 88' ' ' PRO . 84.0 mt -61.25 -44.03 97.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.099 175.292 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 54.8 mtpt -63.24 -36.46 83.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 23' ' ' GLN . 89.6 mttt -70.58 -52.58 20.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.156 0.503 . . . . 0.0 110.618 177.641 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.91 -20.46 48.7 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.972 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.412 ' HB2' HG22 ' A' ' 36' ' ' ILE . . . -54.8 -49.07 71.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.629 0.252 . . . . 0.0 111.244 177.107 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -69.45 -28.01 65.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.096 0.474 . . . . 0.0 110.765 -177.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.519 ' HD3' ' HG2' ' A' ' 93' ' ' GLU . 86.3 tttt -70.94 -30.23 66.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.219 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.418 ' HA ' ' CE ' ' A' ' 32' ' ' MET . 10.1 mmt -92.62 -14.43 28.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.224 176.158 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.23 21.16 65.57 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.989 176.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.475 HD22 HG21 ' A' ' 96' ' ' ILE . 18.3 p30 -115.08 173.08 6.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.652 0.263 . . . . 0.0 111.222 -178.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.43 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 62.0 mt -111.21 107.57 16.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.035 -176.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 14.6 tt -106.93 143.31 17.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.193 0.52 . . . . 0.0 110.62 -176.672 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.448 ' HB2' HG22 ' A' ' 6' ' ' ILE . 13.9 mmmm -116.14 104.34 11.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.064 175.268 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.472 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 61.3 t -96.56 126.33 49.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.393 0.616 . . . . 0.0 111.505 -175.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.86 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 29.4 tt0 -102.18 147.75 26.26 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.941 175.141 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' A' ' 9' ' ' THR . 87.3 m -133.72 120.6 20.78 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 120.655 0.264 . . . . 0.0 110.907 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.631 ' HG2' HG12 ' A' ' 46' ' ' ILE . 10.9 mt-30 -121.26 148.18 44.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.165 175.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -94.85 -69.3 1.06 Allowed Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 169.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -143.37 -49.06 0.31 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.086 0.469 . . . . 0.0 109.812 173.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.4 m -119.15 -28.85 5.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.243 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -87.0 129.86 9.7 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.688 -175.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.631 HG12 ' HG2' ' A' ' 41' ' ' GLN . 47.8 mt -109.44 129.75 63.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.448 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 33.1 tt0 -85.99 -32.87 21.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.757 0.313 . . . . 0.0 111.047 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -147.28 94.14 2.35 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 -177.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -68.56 127.66 33.83 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.17 0.509 . . . . 0.0 111.397 -177.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.86 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 78.2 mt -87.6 136.6 32.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.325 175.294 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.644 ' O ' HG23 ' A' ' 55' ' ' VAL . 77.5 p -90.62 158.58 16.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.724 -178.434 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -59.38 -35.01 73.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.725 0.298 . . . . 0.0 110.598 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -68.06 -34.74 77.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.92 178.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.17 -43.74 94.21 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.196 0.522 . . . . 0.0 109.984 174.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 51' ' ' THR . 21.2 t -71.52 -31.12 41.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.14 -176.55 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -74.55 -48.56 26.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.841 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.8 mm -69.81 -29.47 40.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.855 0.36 . . . . 0.0 110.339 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 4' ' ' LYS . . . -64.6 140.58 42.88 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.87 172.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.437 ' CG ' ' HD2' ' A' ' 3' ' ' ARG . 61.1 mm-40 -87.0 -46.45 9.82 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.095 0.474 . . . . 0.0 110.488 -178.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.2 m -125.85 148.43 30.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.013 -176.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.631 ' HB ' HG12 ' A' ' 80' ' ' VAL . 40.9 t -112.14 141.54 27.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.376 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.908 HD11 ' HB2' ' A' ' 99' ' ' ALA . 24.5 mm -113.22 131.65 64.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 120.776 0.322 . . . . 0.0 110.132 174.467 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -119.06 104.18 10.23 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.209 176.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.671 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -107.63 90.84 3.42 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 172.385 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 32.6 m -136.3 157.29 37.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.664 0.745 . . . . 0.0 112.715 -170.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.01 -27.76 2.72 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.197 -1.365 . . . . 0.0 108.552 170.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.674 HG21 ' HB3' ' A' ' 12' ' ' ALA . 10.2 p -113.72 -166.0 1.05 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.045 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -87.8 136.23 33.05 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.083 -172.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.614 HG21 HG11 ' A' ' 8' ' ' VAL . 0.8 OUTLIER -115.82 129.15 72.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.313 174.224 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 71' ' ' ASN . 0.0 OUTLIER -85.46 -24.62 27.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.266 0.555 . . . . 0.0 110.717 -170.246 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.43 ' HA ' HH21 ' A' ' 74' ' ' ARG . 83.1 m-20 -82.71 -5.83 59.08 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.233 -179.162 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.588 ' HB2' HG13 ' A' ' 69' ' ' VAL . 41.1 ttmt -49.42 -28.78 5.55 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.677 0.611 . . . . 0.0 111.081 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.461 ' HB2' ' NH2' ' A' ' 74' ' ' ARG . 38.9 mt-10 -52.96 -37.81 61.46 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.733 177.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.461 ' NH2' ' HB2' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -62.71 -46.32 88.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.333 0.587 . . . . 0.0 110.482 179.748 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.551 ' HD2' ' HA ' ' A' ' 72' ' ' LYS . 4.3 m-85 -83.48 -0.46 50.24 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.738 -174.233 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -60.56 -47.07 87.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 -178.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -88.68 4.32 85.04 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.562 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.9 -177.04 3.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.818 0.342 . . . . 0.0 110.919 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.9 t -100.03 117.93 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.084 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.631 HG12 ' HB ' ' A' ' 61' ' ' VAL . 1.9 m -124.46 152.02 30.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.234 0.54 . . . . 0.0 111.744 -174.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.528 ' HB3' HD13 ' A' ' 62' ' ' ILE . 2.4 tm? -119.96 106.13 11.73 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 172.429 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -98.21 132.34 43.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -174.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.6 m -142.87 167.02 17.27 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.3 -178.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -59.77 146.8 94.62 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.469 2.113 . . . . 0.0 111.302 172.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.671 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 14.4 p -62.26 -31.63 52.22 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 -173.105 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.4 m -75.36 -19.35 59.62 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.61 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -57.85 -54.22 57.65 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -175.286 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.61 ' HD3' ' HB3' ' A' ' 87' ' ' ALA . 12.7 Cg_exo -71.76 4.02 3.4 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.382 2.055 . . . . 0.0 113.522 -177.111 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 27.1 mt -67.97 -50.17 61.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 110.607 178.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -96.2 -37.57 10.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.139 0.495 . . . . 0.0 110.792 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.772 ' HB3' ' HB2' ' A' ' 94' ' ' LYS . 28.4 m-20 -104.87 41.86 1.28 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.893 -170.449 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.719 ' O ' HG12 ' A' ' 95' ' ' VAL . . . -59.43 -44.15 92.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.72 0.295 . . . . 0.0 111.558 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.519 ' HG2' ' HD3' ' A' ' 31' ' ' LYS . 2.2 mp0 -68.09 -30.59 69.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.274 0.559 . . . . 0.0 110.263 178.048 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.772 ' HB2' ' HB3' ' A' ' 91' ' ' ASP . 74.9 mmtt -74.05 -40.83 62.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.944 -177.579 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.719 HG12 ' O ' ' A' ' 92' ' ' ALA . 3.1 p -65.48 -37.49 80.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.144 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.475 HG21 HD22 ' A' ' 34' ' ' ASN . 73.8 mt -62.21 -46.49 96.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.314 174.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -61.41 -38.45 87.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 177.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.67 -39.68 92.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.661 177.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.908 ' HB2' HD11 ' A' ' 62' ' ' ILE . . . -67.79 -45.38 74.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.037 0.446 . . . . 0.0 110.814 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 98.4 mt -59.14 -27.7 65.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.63 177.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.97 -21.95 66.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.826 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.63 -18.16 57.05 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.551 0.204 . . . . 0.0 111.551 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 21.7 pt -115.58 -30.82 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -178.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 C--N 1.327 -0.41 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.524 -177.787 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.597 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 52.6 mttp . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -63.58 134.39 55.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.257 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.416 ' CB ' ' HA2' ' A' ' 58' ' ' GLY . 39.7 mmtm -81.89 110.05 16.82 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 178.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.563 HG23 HD13 ' A' ' 62' ' ' ILE . 67.5 mt -117.28 130.96 71.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.317 -176.565 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.562 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -115.84 125.84 73.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 168.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -132.55 139.17 47.75 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.815 -174.264 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.483 HG13 ' HB3' ' A' ' 39' ' ' GLU . 52.8 t -118.78 126.31 75.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.382 178.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.476 HG22 ' HB3' ' A' ' 64' ' ' ALA . 35.7 p -107.06 131.4 54.13 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 173.494 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.442 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -145.74 112.91 6.14 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.858 0.361 . . . . 0.0 111.188 -177.051 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.0 t -152.25 127.14 9.62 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.91 -21.66 13.95 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.724 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.2 p -94.64 110.06 21.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.414 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.35 71.03 1.09 Allowed Glycine 0 N--CA 1.443 -0.871 0 N-CA-C 110.172 -1.171 . . . . 0.0 110.172 -171.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.5 p -52.14 -23.64 4.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 123.312 0.645 . . . . 0.0 112.606 -175.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.8 -25.9 65.31 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.656 0.265 . . . . 0.0 111.14 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -58.54 -50.31 74.25 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.737 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.595 HG22 HG23 ' A' ' 40' ' ' THR . 3.4 m -62.1 -26.44 68.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.325 -176.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -90.41 -44.19 9.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.023 -178.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.4 tpt -63.73 -41.91 97.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.256 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.13 -45.25 89.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.46 98.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.473 -178.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.427 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 3.5 pt20 -76.6 -36.48 57.48 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.318 -177.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.69 -40.84 79.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.066 0.46 . . . . 0.0 110.132 177.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.536 ' HA ' ' HB1' ' A' ' 92' ' ' ALA . 60.9 tp -63.02 -39.64 95.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.332 175.631 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -62.07 -40.51 96.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.086 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 23' ' ' GLN . 34.0 mmtp -62.63 -48.99 76.95 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.529 175.414 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 31' ' ' LYS . . . -58.87 -37.04 90.08 Favored Glycine 0 CA--C 1.517 0.159 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.394 178.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.49 -45.85 82.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.593 0.235 . . . . 0.0 110.799 178.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -69.94 -27.29 64.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.408 178.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 24.4 tptm -61.82 -40.96 97.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.077 177.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.424 ' HB2' ' ND2' ' A' ' 34' ' ' ASN . 92.4 mmm -93.89 -9.84 35.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.302 -177.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.74 58.5 3.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.981 177.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.424 ' ND2' ' HB2' ' A' ' 32' ' ' MET . 36.5 m-80 -124.42 178.33 5.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.784 0.326 . . . . 0.0 110.507 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.597 ' HG ' ' HB3' ' A' ' 2' ' ' LYS . 95.2 mt -114.87 114.1 25.07 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 175.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.8 tt -118.68 140.74 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 CA-C-O 121.554 0.692 . . . . 0.0 111.751 -172.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.969 ' HG3' HD22 ' A' ' 50' ' ' LEU . 1.3 tpmt? -116.48 100.46 7.88 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.761 -1.109 . . . . 0.0 108.424 174.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 8.1 p -99.96 130.65 48.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.357 0.599 . . . . 0.0 111.834 -174.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.553 ' CD ' HG23 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -100.28 151.85 20.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.331 176.747 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.595 HG23 HG22 ' A' ' 18' ' ' THR . 22.2 m -128.19 97.82 4.89 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.776 0.322 . . . . 0.0 110.461 -177.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.63 HE22 ' HA ' ' A' ' 69' ' ' VAL . 18.6 mt-30 -94.59 107.87 19.85 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 174.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.95 -11.42 74.2 Favored Glycine 0 CA--C 1.516 0.145 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.517 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -169.24 -128.01 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 m -85.76 -5.03 59.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.439 0.637 . . . . 0.0 109.332 172.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.08 163.23 29.07 Favored Glycine 0 C--N 1.334 0.444 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.909 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.553 HG23 ' CD ' ' A' ' 39' ' ' GLU . 3.9 mp -117.14 139.21 45.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 122.011 0.124 . . . . 0.0 111.05 -173.298 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -104.03 -62.22 1.34 Allowed 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.414 ' HB3' ' HA ' ' A' ' 39' ' ' GLU . 26.9 t-20 -80.51 -43.34 20.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.517 -172.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 69.9 107.01 0.06 Allowed 'General case' 0 C--O 1.233 0.221 0 O-C-N 124.208 0.942 . . . . 0.0 110.934 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.969 HD22 ' HG3' ' A' ' 37' ' ' LYS . 16.6 mt -81.85 104.32 12.14 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 175.728 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.428 ' O ' HG23 ' A' ' 55' ' ' VAL . 46.7 p -59.45 150.86 25.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.969 -175.616 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -55.56 -37.38 67.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.712 -178.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -69.26 -43.83 73.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.343 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -65.15 -32.21 73.79 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.033 0.444 . . . . 0.0 110.831 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.526 ' HA ' HG21 ' A' ' 6' ' ' ILE . 76.5 t -71.02 -35.91 61.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.249 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -73.19 -31.26 64.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.757 0.313 . . . . 0.0 110.606 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.3 mm -71.07 -48.69 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 174.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.515 ' HA3' HG23 ' A' ' 6' ' ' ILE . . . -61.29 138.89 47.4 Favored Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 176.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -98.8 -59.07 1.81 Allowed 'General case' 0 C--N 1.317 -0.828 0 O-C-N 122.639 -0.33 . . . . 0.0 110.843 -175.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.6 m -95.37 139.38 18.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.543 HG22 HD11 ' A' ' 6' ' ' ILE . 18.4 t -109.86 117.97 55.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.388 -179.467 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.563 HD13 HG23 ' A' ' 5' ' ' ILE . 2.1 mp -101.55 122.52 53.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.074 0.464 . . . . 0.0 110.148 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -107.84 106.14 16.28 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 177.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.48 ' CB ' ' HG3' ' A' ' 88' ' ' PRO . . . -107.02 90.58 3.34 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 171.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.1 m -136.69 161.0 37.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 121.421 0.629 . . . . 0.0 112.022 -169.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -120.11 -32.7 4.11 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.0 171.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.0 t -106.61 -168.68 1.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.188 174.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -93.15 169.45 10.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.006 0.431 . . . . 0.0 111.048 -176.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.687 HG23 ' HB2' ' A' ' 72' ' ' LYS . 19.1 m -127.88 149.48 32.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.559 -172.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.535 ' HB3' HD11 ' A' ' 46' ' ' ILE . 76.0 ttt180 -94.44 -30.53 14.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.115 0.483 . . . . 0.0 110.494 175.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.556 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 51.5 m-80 -67.29 -13.46 62.01 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.715 -176.624 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.687 ' HB2' HG23 ' A' ' 69' ' ' VAL . 23.7 tptm -51.13 -31.73 20.49 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 122.914 0.486 . . . . 0.0 112.057 -176.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -52.79 -46.47 67.62 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -176.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 71' ' ' ASN . 11.8 ptp180 -75.63 -13.73 60.34 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -174.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.764 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 25.6 m-85 -91.84 0.82 57.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.598 0.237 . . . . 0.0 111.471 -178.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -63.88 134.27 54.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.761 0.315 . . . . 0.0 110.673 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.27 2.45 90.36 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.275 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.764 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 25.7 mtpp -108.24 179.89 4.08 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.46 HG11 HG23 ' A' ' 103' ' ' ILE . 40.8 t -87.7 124.79 41.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -177.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.4 t -120.36 137.89 52.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.314 0.578 . . . . 0.0 111.931 -172.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -127.87 109.49 11.66 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 174.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -106.29 125.34 50.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.718 -174.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.4 m -139.77 161.81 54.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.886 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -61.17 146.08 97.95 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.495 2.13 . . . . 0.0 111.323 174.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.7 p -64.28 -23.13 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.185 0.516 . . . . 0.0 111.395 -175.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 p -75.09 -24.67 58.17 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.54 -52.98 48.59 Favored Pre-proline 0 CA--C 1.541 0.597 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 -172.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.488 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 74.4 Cg_endo -71.76 1.78 5.38 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 122.237 1.958 . . . . 0.0 113.573 -172.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 67.6 mt -73.22 -44.12 56.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.188 0.518 . . . . 0.0 109.775 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -96.82 -53.79 3.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.62 175.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.777 ' HB3' ' HB3' ' A' ' 94' ' ' LYS . 22.0 m-20 -94.71 42.62 1.09 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.679 -170.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.536 ' HB1' ' HA ' ' A' ' 25' ' ' LEU . . . -58.48 -47.45 84.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.289 0.566 . . . . 0.0 110.726 -174.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -70.73 -26.59 63.45 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.006 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.777 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 28.1 tptp -72.23 -35.98 68.99 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 91' ' ' ASP . 89.8 t -64.72 -40.63 89.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.393 175.616 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.7 -44.44 98.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.065 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -61.42 -33.46 73.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.752 178.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.81 -40.53 91.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.521 176.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.21 -43.04 96.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.956 0.408 . . . . 0.0 110.457 177.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.436 HD13 HD11 ' A' ' 103' ' ' ILE . 4.2 mm? -61.9 -31.65 71.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.792 175.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.54 -17.64 64.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.446 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.02 -15.41 41.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.571 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.46 HG23 HG11 ' A' ' 79' ' ' VAL . 31.0 pt -119.57 -18.21 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.475 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.3 t70 . . . . . 0 C--N 1.326 -0.424 0 CA-C-O 120.433 0.158 . . . . 0.0 110.872 -175.981 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.522 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 85.6 mttt . . . . . 0 N--CA 1.465 0.302 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 3' ' ' ARG . 0.6 OUTLIER -59.74 129.99 44.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 0.0 110.317 -176.091 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.438 ' NZ ' HD12 ' A' ' 35' ' ' LEU . 72.2 mmtt -78.66 105.91 10.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.736 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 48.7 mt -122.33 132.39 71.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 120.983 0.421 . . . . 0.0 110.969 -175.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.75 ' HB ' HD21 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -111.39 131.94 61.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.665 176.211 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.479 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -134.48 140.2 46.04 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.903 0.382 . . . . 0.0 111.053 -175.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.7 t -122.02 117.57 52.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.198 176.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.536 HG22 ' HB3' ' A' ' 64' ' ' ALA . 21.9 p -99.84 123.75 44.43 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.471 175.211 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.605 ' HA ' ' O ' ' A' ' 41' ' ' GLN . . . -141.88 98.05 3.26 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.733 -174.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.49 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 53.6 t -137.87 107.79 6.32 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.342 177.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.07 -32.82 33.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.15 177.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 m -60.19 -46.95 87.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.742 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -129.94 86.0 0.31 Allowed Glycine 0 N--CA 1.443 -0.854 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 177.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.3 p -62.97 -29.14 46.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.661 0.267 . . . . 0.0 111.363 -176.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.94 -31.74 72.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.04 0.448 . . . . 0.0 110.463 177.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -68.11 -41.52 81.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.867 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.49 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 28.8 m -56.19 -50.81 70.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.217 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.4 ' HD1' ' N ' ' A' ' 19' ' ' TYR . 2.0 m-30 -71.07 -39.85 71.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.997 -175.168 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.9 ttt -66.34 -40.8 90.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.557 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.442 ' HA ' HG12 ' A' ' 89' ' ' ILE . . . -60.97 -48.61 81.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.415 ' HA ' HG11 ' A' ' 38' ' ' VAL . . . -56.73 -41.28 77.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -71.14 -48.4 52.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.104 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.85 -39.14 93.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.038 0.447 . . . . 0.0 111.076 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.7 tp -64.97 -39.29 93.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.587 177.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -70.1 -28.99 65.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.437 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -65.81 -42.39 90.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.692 176.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.86 -39.46 96.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.736 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.62 -37.83 87.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.501 0.191 . . . . 0.0 110.554 176.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -66.47 -38.34 87.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.821 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -65.99 -53.88 33.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.308 0.575 . . . . 0.0 110.622 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.3 mmt -73.72 -29.0 62.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.243 -177.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.04 57.55 1.3 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.434 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -128.32 170.89 12.55 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.522 ' HG ' ' HB3' ' A' ' 2' ' ' LYS . 79.0 mt -116.03 109.45 17.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.951 0.405 . . . . 0.0 110.035 178.35 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.47 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 16.3 tt -119.78 141.85 38.01 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.787 -176.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.426 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 15.5 mmtp -115.16 104.55 11.97 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.53 176.095 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 15.6 t -101.94 121.15 52.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.094 -176.61 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 40.1 tt0 -94.42 140.63 29.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.586 177.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.0 p -110.79 106.96 16.31 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.999 0.428 . . . . 0.0 110.311 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.605 ' O ' ' HA ' ' A' ' 10' ' ' ALA . 6.5 tt0 -118.3 101.15 7.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.434 -175.732 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.92 -76.83 1.25 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.367 -0.92 . . . . 0.0 111.91 -177.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.431 ' C ' ' H ' ' A' ' 45' ' ' GLY . . . -143.06 93.7 2.53 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.8 p 59.59 -5.7 0.07 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.521 1.129 . . . . 0.0 113.597 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.431 ' H ' ' C ' ' A' ' 43' ' ' ALA . . . -99.88 113.89 4.85 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 176.496 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.7 mm -97.81 115.56 38.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 120.429 0.157 . . . . 0.0 111.132 -173.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -109.75 132.74 53.87 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 173.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.431 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 6.8 t30 63.9 71.33 0.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 O-C-N 124.221 0.95 . . . . 0.0 109.3 -171.52 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.06 110.82 1.94 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.865 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.75 HD21 ' HB ' ' A' ' 6' ' ' ILE . 12.8 tp -77.37 99.77 5.69 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-O 121.3 0.571 . . . . 0.0 109.954 -178.386 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.469 ' O ' HG23 ' A' ' 55' ' ' VAL . 13.5 t -82.6 168.33 17.43 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.441 -170.573 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -55.16 -38.85 68.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.207 -173.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.44 ' O ' HG12 ' A' ' 57' ' ' ILE . 72.8 mmtt -56.87 -49.26 76.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.543 0.211 . . . . 0.0 111.136 -179.45 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -65.89 -42.19 90.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.07 0.462 . . . . 0.0 110.693 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.632 HG11 ' HG3' ' A' ' 74' ' ' ARG . 59.7 t -66.4 -39.03 83.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.012 -175.391 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -73.12 -34.16 65.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.528 0.204 . . . . 0.0 111.021 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' ' 53' ' ' LYS . 37.6 mm -72.82 -48.97 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.747 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.57 135.08 41.66 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.786 178.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.61 -43.75 7.44 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 122.514 -0.403 . . . . 0.0 111.517 -175.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.469 HG23 HG23 ' A' ' 5' ' ' ILE . 14.0 m -103.56 136.02 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.112 0.482 . . . . 0.0 110.91 179.153 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.569 HG22 HD11 ' A' ' 6' ' ' ILE . 11.8 t -110.23 135.76 48.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.004 -178.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.8 mt -115.86 117.9 57.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 120.978 0.418 . . . . 0.0 110.243 176.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -104.1 94.42 5.37 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.364 176.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.536 ' HB3' HG22 ' A' ' 9' ' ' THR . . . -95.59 91.44 6.14 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 172.55 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 10' ' ' ALA . 28.1 m -132.79 -175.44 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 121.723 0.773 . . . . 0.0 112.572 -168.291 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -153.62 -34.7 0.11 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.185 -1.371 . . . . 0.0 108.406 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.4 t -110.03 -172.15 1.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.548 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -77.05 152.8 34.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.076 0.465 . . . . 0.0 111.339 -177.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.6 t -115.46 134.12 59.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.65 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -84.81 -43.98 13.69 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.953 0.406 . . . . 0.0 111.047 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.477 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 92.0 m-20 -75.17 -5.62 45.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.436 -173.191 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.583 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 0.1 OUTLIER -53.43 -23.44 9.94 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.786 0.327 . . . . 0.0 111.055 178.275 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.423 ' N ' ' HD2' ' A' ' 72' ' ' LYS . 5.7 pt-20 -44.1 -43.53 6.98 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.758 176.45 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.632 ' HG3' HG11 ' A' ' 55' ' ' VAL . 7.0 ptp180 -81.78 -29.74 32.62 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -177.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.665 ' HZ ' HD23 ' A' ' 50' ' ' LEU . 55.4 m-85 -81.47 -23.03 37.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.701 0.286 . . . . 0.0 110.609 -178.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -63.0 121.28 13.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.915 175.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.58 -5.23 40.45 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -174.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.433 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 25.3 mtpp -109.31 -175.34 2.73 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 175.633 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.2 t -94.85 108.25 20.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 -177.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.545 HG12 ' HB ' ' A' ' 61' ' ' VAL . 1.4 m -123.9 152.68 29.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.313 0.577 . . . . 0.0 111.499 -175.368 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.8 tp -116.25 129.76 56.44 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.033 171.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -110.85 109.24 19.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.844 0.354 . . . . 0.0 110.774 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 19.6 m -125.93 163.17 41.1 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.702 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -62.5 144.27 94.37 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.34 2.027 . . . . 0.0 111.488 174.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.514 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 14.4 p -59.53 -33.52 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -176.369 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.7 m -74.21 -19.32 60.57 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -178.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.13 -53.95 37.06 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -174.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -68.74 -3.68 11.74 Favored 'Trans proline' 0 C--N 1.359 1.114 0 C-N-CA 122.471 2.114 . . . . 0.0 113.28 -176.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.442 HG12 ' HA ' ' A' ' 21' ' ' ALA . 68.6 mt -67.37 -45.47 85.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 174.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -96.33 -53.82 3.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.935 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.581 ' O ' HG23 ' A' ' 95' ' ' VAL . 11.5 m-20 -90.86 39.73 1.0 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.545 -173.383 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.39 -50.2 65.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.598 -176.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -60.63 -38.98 86.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -177.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -72.79 -35.91 67.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.167 -176.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 91' ' ' ASP . 67.1 t -64.67 -41.43 92.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.194 176.686 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.12 -46.93 95.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.588 177.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -66.73 -31.24 71.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.976 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.06 -37.29 83.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.899 178.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.7 -40.54 97.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.285 0.564 . . . . 0.0 110.109 176.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 83.5 mt -69.96 -29.85 67.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.391 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.14 -16.75 64.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.245 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 74.5 mt -84.03 -26.73 28.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.314 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.428 HG13 ' N ' ' A' ' 104' ' ' ASP . 21.3 pt -105.32 -48.7 9.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.361 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.428 ' N ' HG13 ' A' ' 103' ' ' ILE . 14.9 m-20 . . . . . 0 C--N 1.327 -0.404 0 CA-C-O 120.785 0.326 . . . . 0.0 110.303 -177.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 59.2 mtmt . . . . . 0 CA--C 1.519 -0.222 0 CA-C-O 121.536 0.684 . . . . 0.0 110.456 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.584 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 18.9 tpp180 -61.66 125.54 24.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.691 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -80.7 113.59 19.0 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.9 mt -124.79 139.53 50.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.94 -177.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.614 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -119.82 136.8 55.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 170.898 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.564 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -143.94 145.13 32.05 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.813 0.34 . . . . 0.0 111.006 -175.468 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.0 t -118.51 121.01 66.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.5 p -107.63 115.19 29.71 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.812 177.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.61 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . . . -138.03 146.75 43.43 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.77 0.319 . . . . 0.0 111.191 -175.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.992 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 38.6 t -163.06 134.31 4.88 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 176.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.22 -32.18 10.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.007 0.432 . . . . 0.0 110.192 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.7 p -70.62 -52.05 23.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.546 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -119.39 100.23 0.79 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.532 -177.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.0 t -58.4 -43.32 86.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.804 0.335 . . . . 0.0 111.223 -178.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.58 -30.71 69.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.351 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 56.9 m170 -65.17 -40.56 94.47 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.123 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.9 m -56.78 -42.75 79.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.067 178.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -78.56 -44.68 23.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.112 -175.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.9 tpt -60.03 -43.41 95.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.649 0.261 . . . . 0.0 111.024 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.38 -44.78 95.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.481 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.62 -40.12 92.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.065 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -65.89 -47.05 76.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.9 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.63 -44.08 97.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.964 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 25' ' ' LEU . 46.0 mt -63.05 -43.6 98.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.425 178.062 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -64.94 -31.46 72.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.363 . . . . 0.0 110.84 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -76.31 -48.04 21.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.756 0.312 . . . . 0.0 110.196 175.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.429 ' O ' ' HB3' ' A' ' 31' ' ' LYS . . . -57.27 -32.84 64.19 Favored Glycine 0 CA--C 1.517 0.212 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.94 179.028 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.49 -52.04 67.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.788 0.328 . . . . 0.0 110.982 175.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -68.78 -26.3 65.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.827 0.346 . . . . 0.0 110.673 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.429 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 26.5 tptp -62.59 -36.24 82.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.262 176.53 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.7 mtt -101.0 1.57 39.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.457 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.02 42.9 83.82 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 116.046 -0.524 . . . . 0.0 112.912 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.584 ' HB2' ' O ' ' A' ' 3' ' ' ARG . 2.2 p-10 -122.77 174.74 6.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.055 0.455 . . . . 0.0 111.069 177.512 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.8 mp -116.19 113.12 22.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.172 -176.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.9 tt -113.14 143.57 22.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.439 0.638 . . . . 0.0 111.239 -175.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.722 ' HB3' HD22 ' A' ' 50' ' ' LEU . 19.7 mmtm -115.79 104.37 11.59 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.124 -0.944 . . . . 0.0 108.515 170.194 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.564 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 7.5 p -108.64 125.88 65.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.094 0.473 . . . . 0.0 111.182 -177.427 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.881 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 40.1 tt0 -95.79 110.93 23.01 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.535 177.029 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.823 ' HB ' ' HB3' ' A' ' 47' ' ' GLU . 2.8 m -81.18 98.8 8.23 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.598 177.545 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.61 ' HB3' ' HB2' ' A' ' 10' ' ' ALA . 1.2 tm0? -92.08 101.33 13.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.327 0.584 . . . . 0.0 109.716 -178.555 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.71 55.48 4.85 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.805 -175.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 65.2 83.67 0.16 Allowed 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 123.027 0.531 . . . . 0.0 109.954 -178.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.5 m 76.18 -33.91 0.22 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.36 -178.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.36 158.31 43.56 Favored Glycine 0 C--O 1.227 -0.282 0 C-N-CA 121.05 -0.595 . . . . 0.0 111.647 176.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.6 mm -128.47 131.1 69.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 117.072 0.436 . . . . 0.0 111.027 -175.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.823 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 31.0 tt0 -94.24 -36.6 11.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.699 0.285 . . . . 0.0 111.335 177.261 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -145.65 96.86 2.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.693 -0.231 . . . . 0.0 110.817 -172.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -57.32 134.09 55.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.014 0.435 . . . . 0.0 111.452 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.881 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 33.8 mt -91.06 102.81 15.57 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.66 172.251 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.74 153.65 43.25 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.733 -174.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -58.26 -41.54 84.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.183 -174.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -58.06 -47.25 83.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.31 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.82 -35.53 81.41 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 120.789 0.328 . . . . 0.0 111.065 -176.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.807 HG11 ' HG3' ' A' ' 74' ' ' ARG . 98.3 t -65.55 -43.55 94.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.25 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -68.95 -32.93 72.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.302 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 77.0 mt -75.53 -42.99 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.498 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.03 140.84 48.09 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.776 -0.647 . . . . 0.0 113.09 179.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -83.68 -72.11 0.47 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.094 0.473 . . . . 0.0 110.624 -178.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 28.0 m -98.71 146.39 8.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.122 -176.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.639 ' HB ' HG12 ' A' ' 80' ' ' VAL . 17.2 t -111.03 121.22 63.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.699 177.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.4 mt -100.44 119.41 48.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.243 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -105.38 104.46 14.19 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.641 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.692 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -108.69 89.51 3.02 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 169.245 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.566 HG12 ' HB3' ' A' ' 10' ' ' ALA . 17.1 m -134.68 140.97 44.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.586 0.708 . . . . 0.0 112.348 -168.205 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.992 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 16.7 t70 -105.07 1.56 28.62 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.461 -1.245 . . . . 0.0 109.084 173.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.435 ' O ' ' HB ' ' A' ' 65' ' ' VAL . 11.5 t -153.43 172.09 17.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.053 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -73.93 175.64 7.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.936 0.398 . . . . 0.0 110.488 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.401 ' CG2' ' HB2' ' A' ' 72' ' ' LYS . 33.0 m -132.66 174.66 12.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.99 0.424 . . . . 0.0 111.442 -174.387 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 71' ' ' ASN . 1.5 ptm180 -93.44 -46.88 7.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.997 -179.296 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.529 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 93.9 m-20 -76.29 -4.27 41.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.895 -169.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.401 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 63.1 tttm -47.11 -26.06 1.01 Allowed 'General case' 0 N--CA 1.471 0.609 0 O-C-N 123.224 0.328 . . . . 0.0 111.273 176.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -46.28 -53.38 10.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.231 176.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.807 ' HG3' HG11 ' A' ' 55' ' ' VAL . 10.5 ptp180 -87.93 -25.87 22.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.05 -172.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.485 ' HE1' HG13 ' A' ' 6' ' ' ILE . 26.1 m-85 -74.64 -19.57 60.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.847 0.356 . . . . 0.0 110.964 178.115 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -67.65 115.99 7.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.896 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.5 -13.87 32.88 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 -176.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -97.66 178.91 5.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.738 0.304 . . . . 0.0 110.33 178.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 67.1 t -90.4 108.28 19.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.128 -177.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.639 HG12 ' HB ' ' A' ' 61' ' ' VAL . 1.3 m -122.58 154.4 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.112 0.482 . . . . 0.0 111.27 -178.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.0 tp -117.02 121.42 41.3 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.301 173.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -105.3 100.02 9.62 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.084 0.468 . . . . 0.0 110.762 -176.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.1 m -123.75 164.36 29.32 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.76 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.69 153.18 76.77 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.456 2.104 . . . . 0.0 112.03 176.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.692 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 15.0 p -63.19 -23.66 33.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.131 0.491 . . . . 0.0 111.597 -177.602 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.9 m -73.91 -19.52 60.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.702 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.14 -57.8 16.73 Favored Pre-proline 0 CA--C 1.534 0.358 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -174.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.442 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 38.3 Cg_endo -65.23 -18.3 60.62 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.227 1.951 . . . . 0.0 112.93 -175.404 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 69.6 mt -66.11 -42.43 91.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.338 0.59 . . . . 0.0 110.342 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -96.26 -45.1 6.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.042 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.828 ' HB3' ' HB2' ' A' ' 94' ' ' LYS . 19.6 m-20 -112.79 42.37 1.88 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.921 -170.211 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.678 ' O ' HG12 ' A' ' 95' ' ' VAL . . . -53.38 -44.03 68.29 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -178.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -69.47 -30.9 68.89 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.652 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.828 ' HB2' ' HB3' ' A' ' 91' ' ' ASP . 0.8 OUTLIER -73.87 -43.11 59.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.041 0.448 . . . . 0.0 110.154 -179.769 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.678 HG12 ' O ' ' A' ' 92' ' ' ALA . 4.1 p -63.2 -37.44 79.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.37 -177.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.527 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 75.3 mt -65.25 -51.48 64.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.46 176.009 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -59.35 -41.19 88.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.961 0.41 . . . . 0.0 111.0 177.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.2 89.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.051 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.04 -38.33 85.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.407 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 71.5 mt -67.26 -31.71 72.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.646 178.637 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.7 -23.55 66.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.198 177.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.23 -29.03 66.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.578 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 35.0 pt -101.21 6.34 9.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.304 0.573 . . . . 0.0 109.576 172.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 22.4 t70 . . . . . 0 N--CA 1.463 0.215 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.964 178.14 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.52 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.2 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -74.79 146.88 41.73 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 -178.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.786 ' HB2' ' HG3' ' A' ' 59' ' ' GLU . 39.5 mmtm -96.66 118.73 33.76 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -176.229 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.572 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 62.1 mt -134.9 138.35 49.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.923 0.392 . . . . 0.0 110.884 -177.49 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.696 HD11 HG22 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -122.89 136.36 59.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 171.599 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -135.97 143.92 45.11 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.663 -175.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.475 ' HB ' ' CD1' ' A' ' 63' ' ' PHE . 58.4 t -122.58 132.3 71.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 177.095 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.599 HG22 ' HB3' ' A' ' 64' ' ' ALA . 17.3 p -116.62 128.14 55.11 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.089 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.13 96.42 1.32 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.761 0.315 . . . . 0.0 111.495 -176.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.733 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 46.9 t -118.09 129.63 55.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.72 0.295 . . . . 0.0 110.272 178.32 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.36 -16.44 22.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.939 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.1 m -69.58 -51.93 30.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.176 0.512 . . . . 0.0 110.3 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.48 112.56 0.65 Allowed Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.702 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.0 m -62.51 -28.13 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -176.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.69 -34.01 75.0 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.996 0.427 . . . . 0.0 110.851 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -70.99 -33.59 70.56 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.276 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.543 HG22 HG23 ' A' ' 40' ' ' THR . 15.8 m -63.17 -43.23 98.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.8 179.501 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -65.32 -40.53 93.86 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.82 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.479 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 24.7 ttt -75.06 -37.89 61.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.564 -175.355 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.92 -39.43 85.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.968 0.413 . . . . 0.0 110.45 178.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.98 -47.79 76.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.254 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 20' ' ' MET . 12.9 pt20 -72.47 -29.72 63.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.086 -176.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.424 ' O ' ' HB3' ' A' ' 27' ' ' LYS . . . -74.07 -40.41 62.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.783 0.325 . . . . 0.0 110.737 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.9 mt -63.07 -42.8 99.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.573 174.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -65.31 -34.79 79.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.844 177.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 24' ' ' ALA . 24.1 tttm -56.99 -55.79 30.07 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.953 173.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.53 -40.4 99.07 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.624 -176.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.55 -48.53 74.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.616 0.246 . . . . 0.0 111.094 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -69.76 -25.54 63.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.5 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -60.36 -32.52 71.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.319 0.581 . . . . 0.0 110.164 174.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.543 ' HB2' ' ND2' ' A' ' 34' ' ' ASN . 86.9 mmm -100.11 4.92 44.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.423 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.459 ' O ' ' HG3' ' A' ' 2' ' ' LYS . . . 71.45 28.01 70.39 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.743 -0.662 . . . . 0.0 113.034 178.411 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.543 ' ND2' ' HB2' ' A' ' 32' ' ' MET . 86.8 m-20 -88.42 169.45 11.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.244 0.545 . . . . 0.0 111.526 -176.538 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.52 ' HG ' ' HB3' ' A' ' 2' ' ' LYS . 72.3 mt -110.19 119.03 37.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.475 -0.784 . . . . 0.0 108.916 178.003 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.572 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 16.5 tt -136.57 139.28 45.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.184 0.516 . . . . 0.0 111.751 -172.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -116.09 109.71 17.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.567 173.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.9 t -101.54 119.02 49.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.062 -176.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.465 ' HB3' HG22 ' A' ' 8' ' ' VAL . 35.8 tt0 -94.49 153.36 17.95 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.071 174.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.543 HG23 HG22 ' A' ' 18' ' ' THR . 61.6 m -132.06 131.91 42.86 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.769 176.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.537 ' HG3' HG12 ' A' ' 46' ' ' ILE . 1.6 tm0? -129.06 131.48 47.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.918 0.39 . . . . 0.0 110.082 -179.249 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -106.03 69.6 0.23 Allowed Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.173 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 73.95 -42.12 0.5 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.708 0.803 . . . . 0.0 112.138 174.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.2 t -149.85 -21.01 0.26 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.049 0.452 . . . . 0.0 110.605 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.47 111.13 4.15 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.593 -0.813 . . . . 0.0 111.444 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.537 HG12 ' HG3' ' A' ' 41' ' ' GLN . 44.6 mt -91.72 127.0 44.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 -178.233 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -73.37 -63.57 1.16 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.993 0.425 . . . . 0.0 111.332 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.424 ' HB3' ' HG3' ' A' ' 39' ' ' GLU . 47.7 t30 -87.4 -52.72 5.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.673 -174.056 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.44 ' HA ' HD21 ' A' ' 71' ' ' ASN . 4.5 tm-20 64.75 83.93 0.16 Allowed 'General case' 0 C--O 1.233 0.22 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -170.184 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.591 HD21 ' HB ' ' A' ' 6' ' ' ILE . 11.9 tp -65.09 110.5 2.53 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.952 -172.574 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.9 p -68.35 163.89 22.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.853 -175.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -62.83 -35.52 80.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.5 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.51 ' O ' HG13 ' A' ' 57' ' ' ILE . 67.8 mttm -63.79 -42.42 97.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.098 179.476 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -66.29 -46.85 75.56 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.448 0.642 . . . . 0.0 109.95 175.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.022 HG11 ' HB3' ' A' ' 74' ' ' ARG . 29.6 t -56.73 -47.06 83.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.835 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -71.98 -8.99 57.69 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -175.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 53' ' ' LYS . 78.2 mt -81.92 -49.51 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 172.262 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.564 ' HA3' HG23 ' A' ' 6' ' ' ILE . . . -65.63 138.94 38.48 Favored Glycine 0 C--N 1.331 0.254 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.749 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.786 ' HG3' ' HB2' ' A' ' 4' ' ' LYS . 27.3 mt-10 -89.03 -63.29 1.31 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.976 0.417 . . . . 0.0 110.275 -178.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.3 m -95.99 147.96 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.999 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.696 HG22 HD11 ' A' ' 6' ' ' ILE . 19.9 t -116.26 129.96 71.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.408 -178.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.7 mt -115.95 124.45 72.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.256 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.62 ' HB2' ' HG2' ' A' ' 82' ' ' GLU . 45.6 m-85 -108.42 107.75 18.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.906 176.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.605 ' HB2' ' HG3' ' A' ' 88' ' ' PRO . . . -96.89 89.59 4.92 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 168.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.7 m -138.23 154.44 27.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 121.705 0.764 . . . . 0.0 112.668 -167.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.733 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 19.3 t70 -113.42 -27.22 7.99 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.082 -1.417 . . . . 0.0 108.476 170.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.4 t -121.03 174.84 6.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.936 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.9 167.61 14.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.77 0.319 . . . . 0.0 110.769 -176.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.402 ' CG2' ' HB2' ' A' ' 72' ' ' LYS . 14.8 m -131.57 168.74 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.136 -179.021 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.51 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 40.9 ttm180 -92.86 -46.52 7.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.812 0.339 . . . . 0.0 111.423 179.231 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.44 HD21 ' HA ' ' A' ' 49' ' ' GLU . 55.8 m-20 -65.99 -5.73 10.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.926 -172.009 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.529 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 55.0 tttp -46.95 -27.91 1.44 Allowed 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.43 172.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 18.6 mt-10 -46.77 -52.71 13.46 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.645 0.736 . . . . 0.0 110.929 177.689 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 1.022 ' HB3' HG11 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -59.3 -33.98 71.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.613 -1.176 . . . . 0.0 112.911 -175.514 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.529 ' HD2' ' HA ' ' A' ' 72' ' ' LYS . 21.1 m-85 -83.93 -9.42 58.71 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.768 -171.063 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -63.36 -30.17 71.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.154 0.502 . . . . 0.0 110.621 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -80.67 -8.05 87.92 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.781 -0.645 . . . . 0.0 113.112 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.447 ' HB3' ' H ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -121.33 -154.68 0.6 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.735 0.268 . . . . 0.0 110.879 -178.212 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.699 HG11 ' HB3' ' A' ' 102' ' ' LEU . 45.5 t -110.95 126.73 68.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.661 0.267 . . . . 0.0 110.294 -175.202 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 62.1 t -119.25 138.31 50.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.303 -174.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -128.74 101.42 6.11 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 174.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.62 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 44.6 mt-10 -91.9 141.63 28.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.047 -177.399 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.0 m -139.91 162.5 50.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.612 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.05 147.17 91.52 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.25 1.967 . . . . 0.0 110.473 170.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.563 HG21 ' HB2' ' A' ' 11' ' ' CYS . 10.7 p -63.84 -28.25 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 -172.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.8 p -75.31 -24.2 57.43 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.435 ' N ' ' HD2' ' A' ' 88' ' ' PRO . . . -61.39 -53.5 61.66 Favored Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -173.523 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.605 ' HG3' ' HB2' ' A' ' 64' ' ' ALA . 40.8 Cg_endo -65.63 -6.27 13.46 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 122.255 1.97 . . . . 0.0 113.235 -176.413 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 67.0 mt -80.88 -42.14 20.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.145 0.497 . . . . 0.0 110.204 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -96.44 -24.77 15.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.612 -178.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.562 ' O ' HG23 ' A' ' 95' ' ' VAL . 14.8 t70 -125.04 27.41 6.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.238 -168.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 88' ' ' PRO . . . -52.67 -52.89 53.89 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -172.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -63.43 -37.55 87.7 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.776 0.322 . . . . 0.0 111.336 -177.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.428 ' HB3' ' CG ' ' A' ' 91' ' ' ASP . 28.8 tptp -73.39 -39.54 65.03 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.21 -176.104 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 91' ' ' ASP . 85.4 t -61.94 -42.75 95.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.722 176.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.581 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 75.9 mt -64.36 -43.58 97.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.985 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -67.66 -29.19 68.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 177.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.31 -43.38 70.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.41 176.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.79 -37.44 79.1 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.405 176.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 92.3 mt -62.3 -29.07 70.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.998 178.285 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.32 -16.05 63.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.813 0.34 . . . . 0.0 111.457 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.699 ' HB3' HG11 ' A' ' 79' ' ' VAL . 4.1 mm? -83.32 -30.23 27.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.735 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 25.6 pt -107.28 -40.26 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 120.757 0.313 . . . . 0.0 111.776 -178.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.168 177.944 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp . . . . . 0 N--CA 1.466 0.357 0 CA-C-O 121.23 0.538 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.689 ' HE ' ' HG3' ' A' ' 59' ' ' GLU . 13.8 tpt180 -94.87 145.6 24.79 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 177.612 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.568 ' HD2' ' HB2' ' A' ' 35' ' ' LEU . 14.6 mmmm -81.82 123.56 28.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.982 0.42 . . . . 0.0 110.74 -178.515 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.415 HG23 HG23 ' A' ' 60' ' ' VAL . 66.2 mt -122.1 131.97 72.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.922 177.247 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.713 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -105.26 126.58 60.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 174.39 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.549 ' HA ' ' O ' ' A' ' 62' ' ' ILE . . . -135.89 140.96 44.49 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.57 -177.048 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.527 HG22 ' HB3' ' A' ' 39' ' ' GLU . 53.3 t -124.97 124.77 68.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.071 0.463 . . . . 0.0 111.019 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.638 HG22 ' HB3' ' A' ' 64' ' ' ALA . 29.1 p -107.64 112.39 25.08 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 174.111 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.578 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . . . -131.09 97.21 4.23 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.932 0.396 . . . . 0.0 111.427 -173.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.835 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 47.0 t -112.91 130.45 56.11 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.466 ' HB2' ' HB ' ' A' ' 67' ' ' THR . . . -92.62 -56.84 2.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.912 0.387 . . . . 0.0 110.398 -178.263 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.0 p -98.64 106.07 18.3 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.255 177.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.85 69.65 0.48 Allowed Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -175.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 m -63.22 -18.27 21.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -176.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.99 -34.52 68.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.011 0.434 . . . . 0.0 110.314 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -64.95 -39.14 93.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.204 177.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.552 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 2.2 m -56.17 -50.73 70.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.435 -177.309 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -80.1 -35.99 36.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.206 -176.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.7 tpt -68.35 -42.43 79.25 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.619 -0.433 . . . . 0.0 111.185 -177.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.3 -44.49 95.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.702 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.67 99.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.158 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -66.34 -49.26 67.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.33 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.7 -42.74 90.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.986 0.422 . . . . 0.0 111.094 -177.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.7 tp -61.76 -47.11 86.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.948 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -64.61 -41.04 96.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.663 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -66.73 -37.9 85.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.37 -38.4 94.92 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.879 -0.676 . . . . 0.0 112.096 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.484 ' HA ' HD13 ' A' ' 96' ' ' ILE . . . -71.24 -39.19 71.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.74 0.305 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -69.65 -25.78 64.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.491 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -60.8 -27.88 68.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.171 0.51 . . . . 0.0 110.325 176.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.5 mmt -99.82 12.14 37.47 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.68 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.03 55.11 29.96 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.538 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -122.92 167.09 14.01 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.719 0.295 . . . . 0.0 110.583 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.568 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 91.9 mt -112.94 94.16 4.77 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.3 tt -105.31 143.05 17.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.708 -176.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.44 ' HB3' HD22 ' A' ' 50' ' ' LEU . 61.1 mmtt -115.51 105.17 12.49 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.163 174.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.9 t -97.09 120.87 46.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.644 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.636 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 35.3 tt0 -95.66 134.6 38.38 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 176.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.941 ' HB ' ' HB2' ' A' ' 47' ' ' GLU . 13.7 m -112.89 93.31 4.36 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 120.978 0.418 . . . . 0.0 110.329 -176.272 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.578 ' HB3' ' HB2' ' A' ' 10' ' ' ALA . 53.0 tt0 -90.19 106.44 18.49 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.212 0.53 . . . . 0.0 110.69 -177.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.33 68.98 3.22 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.273 176.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.525 ' HA ' HG21 ' A' ' 67' ' ' THR . . . 70.82 -77.09 0.06 Allowed 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 123.546 0.739 . . . . 0.0 111.051 179.436 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.7 m -106.0 -28.67 10.41 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.903 0.383 . . . . 0.0 110.557 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -87.05 159.42 31.27 Favored Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 -177.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 77.0 mt -131.3 115.56 29.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 117.006 0.403 . . . . 0.0 111.311 -176.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.941 ' HB2' ' HB ' ' A' ' 40' ' ' THR . 60.8 mm-40 -84.66 140.98 30.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.779 172.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.445 ' HB3' ' O ' ' A' ' 47' ' ' GLU . 37.4 t30 76.18 -62.21 0.43 Allowed 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.971 0.795 . . . . 0.0 111.358 176.17 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 66.6 110.42 0.04 OUTLIER 'General case' 0 C--O 1.235 0.33 0 O-C-N 123.749 0.656 . . . . 0.0 110.953 -177.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.636 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 65.4 mt -64.74 119.79 11.25 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.343 -176.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.39 147.99 48.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.344 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -57.04 -41.28 78.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.597 -177.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -60.36 -41.48 93.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.168 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -72.16 -38.57 69.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.095 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.511 ' HA ' HG21 ' A' ' 6' ' ' ILE . 57.3 t -61.75 -45.06 99.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.643 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -75.08 -28.11 60.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.787 -175.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.2 mm -87.35 -29.49 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.948 0.404 . . . . 0.0 110.637 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.01 130.31 50.83 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.385 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.689 ' HG3' ' HE ' ' A' ' 3' ' ' ARG . 7.2 mm-40 -81.43 -72.5 0.42 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.113 0.482 . . . . 0.0 110.983 -177.297 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.713 ' HA ' HG13 ' A' ' 79' ' ' VAL . 22.2 m -95.14 144.27 10.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.644 -176.208 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.572 HG22 HD11 ' A' ' 6' ' ' ILE . 11.6 t -110.23 118.8 57.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.954 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.549 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 77.6 mt -108.2 133.79 52.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.463 -178.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.593 ' HB2' ' HG3' ' A' ' 82' ' ' GLU . 79.5 m-85 -123.51 134.29 53.9 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.96 0.41 . . . . 0.0 110.902 176.68 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.664 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -129.74 92.12 3.27 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 172.257 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.574 HG12 ' HB3' ' A' ' 10' ' ' ALA . 28.4 m -130.99 150.51 34.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -166.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.835 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 7.0 t70 -106.17 -31.35 8.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 113.983 -1.462 . . . . 0.0 108.805 173.114 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.525 HG21 ' HA ' ' A' ' 43' ' ' ALA . 15.0 t -118.09 -171.55 2.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.174 178.127 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -78.66 167.22 21.55 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.355 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.763 ' HB ' ' HB2' ' A' ' 72' ' ' LYS . 18.1 t -114.0 140.03 36.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -177.457 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -81.75 -56.84 3.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.247 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.496 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 89.2 m-20 -74.69 -7.13 52.32 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -175.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.763 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 85.6 tttt -52.86 -27.38 18.16 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.928 0.395 . . . . 0.0 111.323 179.411 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -52.1 -34.44 44.12 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -178.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 71' ' ' ASN . 9.9 ptp180 -81.37 -7.58 59.6 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -175.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.615 ' CE1' HG13 ' A' ' 6' ' ' ILE . 30.9 m-85 -98.16 20.99 11.46 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 122.199 -0.313 . . . . 0.0 110.776 177.131 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -56.34 -42.0 77.02 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.614 -175.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -104.73 15.42 48.92 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.771 -178.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.561 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 26.2 mtpp -107.29 162.35 13.98 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -177.214 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.713 HG13 ' HA ' ' A' ' 60' ' ' VAL . 3.2 p -74.44 117.03 17.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.289 0.566 . . . . 0.0 110.656 -175.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 85.1 t -108.88 121.53 62.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.841 -172.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.634 HD23 HD11 ' A' ' 102' ' ' LEU . 3.2 tm? -119.02 109.45 15.95 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 173.217 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.593 ' HG3' ' HB2' ' A' ' 63' ' ' PHE . 34.4 tt0 -115.17 132.08 56.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.11 -174.171 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 24.2 m -135.14 167.28 23.45 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.911 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.407 ' HD2' ' HB ' ' A' ' 83' ' ' VAL . 35.0 Cg_exo -61.06 153.1 66.73 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.473 2.115 . . . . 0.0 111.529 174.304 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.664 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 9.0 p -66.74 -24.26 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.132 0.492 . . . . 0.0 111.255 -174.648 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 p -75.45 -22.81 57.01 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.412 ' N ' ' HD2' ' A' ' 88' ' ' PRO . . . -65.61 -52.24 45.06 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -171.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 87' ' ' ALA . 59.3 Cg_endo -69.54 -3.7 12.38 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.133 1.888 . . . . 0.0 113.458 -173.558 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 64.2 mt -72.58 -44.48 60.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.411 0.624 . . . . 0.0 109.7 176.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -97.25 -49.42 4.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.151 177.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.589 ' O ' HG23 ' A' ' 95' ' ' VAL . 5.1 m-20 -95.66 36.35 1.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.961 -171.486 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.15 -49.17 67.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.595 0.236 . . . . 0.0 111.299 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -64.92 -36.06 83.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.809 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.565 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 17.7 tppt? -65.9 -45.09 83.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.132 -179.14 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 91' ' ' ASP . 57.8 t -61.31 -45.19 99.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.842 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.484 HD13 ' HA ' ' A' ' 29' ' ' ALA . 79.5 mt -64.15 -50.56 76.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.742 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -59.72 -41.78 91.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.036 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.548 ' O ' ' HG ' ' A' ' 102' ' ' LEU . . . -60.71 -39.49 88.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.074 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.25 -48.93 77.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.805 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.17 -31.37 71.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.031 0.443 . . . . 0.0 110.735 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.45 -17.85 65.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.624 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.634 HD11 HD23 ' A' ' 81' ' ' LEU . 85.4 mt -80.04 -19.32 47.89 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.703 0.287 . . . . 0.0 111.373 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 28.4 pt -117.29 -41.13 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -177.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 120.604 0.24 . . . . 0.0 111.5 -175.552 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.631 ' HE2' HD21 ' A' ' 35' ' ' LEU . 56.3 mtpt . . . . . 0 C--O 1.233 0.225 0 CA-C-O 121.453 0.644 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.463 ' HD2' ' HA ' ' A' ' 3' ' ' ARG . 13.0 tpt180 -88.18 169.45 11.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.657 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -111.26 125.99 54.41 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -178.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 66.8 mt -137.14 131.75 46.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.641 0.258 . . . . 0.0 111.314 -178.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.634 ' HB ' HD13 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -110.78 130.24 64.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 171.401 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.55 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -142.06 126.54 17.78 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.798 0.332 . . . . 0.0 111.15 -174.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.403 ' HA ' ' HB3' ' A' ' 39' ' ' GLU . 38.8 t -95.89 118.16 41.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.024 177.519 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.498 HG22 ' HB3' ' A' ' 64' ' ' ALA . 19.4 p -117.34 113.77 22.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.915 178.09 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.627 ' O ' ' HA ' ' A' ' 65' ' ' VAL . . . -160.04 160.66 33.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.849 0.357 . . . . 0.0 111.096 -176.288 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.648 ' SG ' ' HB2' ' A' ' 17' ' ' HIS . 24.9 p -157.83 142.16 16.13 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.314 178.184 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.521 ' HB2' ' HB ' ' A' ' 67' ' ' THR . . . -90.54 -32.46 16.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.256 0.551 . . . . 0.0 109.837 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.5 p -111.87 133.85 53.8 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.1 175.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.18 58.66 5.01 Favored Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -175.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.1 m -59.98 -16.95 12.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -169.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.46 -26.56 66.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.93 0.395 . . . . 0.0 110.909 176.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.648 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 37.0 m80 -64.64 -36.65 84.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.066 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.602 HG23 ' HA ' ' A' ' 10' ' ' ALA . 27.3 m -57.91 -37.87 74.82 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 121.096 0.474 . . . . 0.0 111.255 -177.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -90.69 -43.87 9.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.813 -174.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.4 tpt -64.67 -42.05 95.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 -178.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.457 ' HB1' ' HG2' ' A' ' 88' ' ' PRO . . . -63.51 -47.07 83.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.309 -177.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.58 -41.96 95.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.408 -178.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -71.47 -42.15 68.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.382 -178.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.66 -39.1 80.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.968 0.413 . . . . 0.0 110.382 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.5 tp -64.62 -40.21 95.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.781 175.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -59.05 -43.71 91.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.01 175.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -59.57 -47.42 85.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.62 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.74 -43.31 99.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.959 178.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.7 -37.88 89.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.924 0.392 . . . . 0.0 110.92 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -65.89 -38.92 90.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.288 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -65.58 -49.81 67.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.845 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 85.7 mtp -70.15 -24.37 63.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.539 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 2' ' ' LYS . . . 83.56 62.59 1.77 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.44 175.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.533 ' HA ' ' HA ' ' A' ' 2' ' ' LYS . 2.9 p-10 -135.55 177.3 7.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.731 0.3 . . . . 0.0 110.589 176.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.631 HD21 ' HE2' ' A' ' 2' ' ' LYS . 2.8 mm? -107.47 109.96 21.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.367 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.6 tt -114.93 141.21 32.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 121.338 0.589 . . . . 0.0 111.308 -175.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.483 ' HB3' HD22 ' A' ' 50' ' ' LEU . 7.0 mmtm -115.8 101.66 9.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.391 175.408 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.55 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 15.2 m -93.91 127.23 46.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.111 0.481 . . . . 0.0 110.831 -179.169 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.521 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 28.5 tt0 -95.32 146.51 24.32 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.853 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.6 m -127.07 119.55 26.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.757 -174.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -124.14 136.96 54.58 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.36 -60.21 1.94 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.349 -0.929 . . . . 0.0 111.961 177.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -143.29 -39.42 0.32 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.964 0.411 . . . . 0.0 110.258 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.2 t -148.95 -18.64 0.3 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.506 175.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.79 130.05 10.12 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.015 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 68.2 mt -99.71 127.54 52.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -92.98 -54.51 3.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.485 -177.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -95.77 74.67 3.15 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -65.82 124.6 22.89 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.558 -176.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.634 HD13 ' HB ' ' A' ' 6' ' ' ILE . 73.2 mt -80.61 111.26 16.88 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 174.346 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.54 ' O ' HG23 ' A' ' 55' ' ' VAL . 75.9 p -91.19 173.77 7.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.511 -174.226 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -48.71 -46.14 40.31 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.589 0.556 . . . . 0.0 110.982 -178.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.546 ' O ' HG12 ' A' ' 57' ' ' ILE . 5.4 tmmm? -57.67 -50.52 72.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.036 -179.062 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -63.44 -45.05 92.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.384 0.612 . . . . 0.0 110.528 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 51' ' ' THR . 89.7 t -61.21 -42.32 92.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 114.922 -1.035 . . . . 0.0 112.13 -174.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -78.13 -20.5 51.99 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.795 0.295 . . . . 0.0 111.795 -176.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.546 HG12 ' O ' ' A' ' 53' ' ' LYS . 42.6 mm -80.52 -42.51 21.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 176.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.43 135.56 42.16 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.859 -0.61 . . . . 0.0 113.133 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -76.91 -64.58 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.231 0.539 . . . . 0.0 110.141 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.419 HG13 HD13 ' A' ' 103' ' ' ILE . 17.7 m -107.53 151.76 9.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.036 -177.126 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.632 ' HB ' HG12 ' A' ' 80' ' ' VAL . 8.4 t -115.04 114.42 46.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.193 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 69.8 mt -100.41 131.79 47.28 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.08 179.359 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.402 ' HB2' ' HG2' ' A' ' 82' ' ' GLU . 73.3 m-85 -115.01 111.67 21.49 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.639 178.269 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.674 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -118.38 90.21 3.29 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 172.04 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.627 ' HA ' ' O ' ' A' ' 10' ' ' ALA . 12.3 m -141.32 141.07 31.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.469 0.652 . . . . 0.0 112.736 -169.44 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.551 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 9.8 t70 -97.33 -20.24 17.98 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.944 -1.026 . . . . 0.0 108.84 170.154 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.521 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 4.2 t -111.89 154.38 25.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.445 177.456 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -78.03 160.81 27.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.131 0.491 . . . . 0.0 110.678 -176.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.481 HG23 ' HB2' ' A' ' 72' ' ' LYS . 21.6 m -118.66 153.28 20.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.562 -178.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.514 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 15.7 ttt180 -90.99 -44.14 9.51 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.218 174.043 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.49 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 96.5 m-20 -60.16 -7.74 2.06 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -170.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.493 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 26.2 ttpp -51.39 -24.16 4.53 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 122.514 0.326 . . . . 0.0 110.6 174.249 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 12.3 mt-10 -41.16 -47.48 3.27 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.283 0.633 . . . . 0.0 111.656 175.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.517 ' HG3' HG11 ' A' ' 55' ' ' VAL . 6.4 ptp180 -87.9 -25.67 23.13 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.675 -173.331 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.493 ' HD2' ' HA ' ' A' ' 72' ' ' LYS . 23.8 m-85 -84.7 -10.59 57.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.679 0.276 . . . . 0.0 110.94 178.075 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.95 -27.51 66.85 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.57 -176.456 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.43 22.08 31.5 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.071 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.479 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 28.8 mtpp -122.9 178.4 5.06 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -178.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 44.8 t -90.22 111.63 23.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.632 HG12 ' HB ' ' A' ' 61' ' ' VAL . 2.4 m -117.77 161.84 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.208 0.528 . . . . 0.0 111.157 -176.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.557 HD23 HD11 ' A' ' 102' ' ' LEU . 3.1 tm? -143.43 115.49 8.36 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 176.072 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.402 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 45.1 mt-10 -97.16 133.52 41.69 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.99 0.424 . . . . 0.0 111.313 -176.052 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 12.4 m -140.01 163.28 45.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.091 177.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -60.79 146.16 97.83 Favored 'Trans proline' 0 CA--C 1.527 0.138 0 C-N-CA 122.451 2.1 . . . . 0.0 111.15 173.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.674 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 13.0 p -63.67 -26.43 40.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-O 121.032 0.444 . . . . 0.0 111.498 -176.492 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.7 m -74.96 -19.75 59.97 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.405 ' N ' ' HD2' ' A' ' 88' ' ' PRO . . . -63.15 -53.65 52.51 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -174.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.566 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 41.0 Cg_endo -66.94 -6.37 15.71 Favored 'Trans proline' 0 C--N 1.357 1.014 0 C-N-CA 122.057 1.838 . . . . 0.0 113.002 -177.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 70.4 mt -72.29 -49.59 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.974 0.416 . . . . 0.0 110.134 176.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -96.4 -40.63 9.01 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.579 -178.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.444 ' O ' HG23 ' A' ' 95' ' ' VAL . 38.2 t0 -123.08 40.7 3.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.385 0.612 . . . . 0.0 111.115 -166.134 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 88' ' ' PRO . . . -54.43 -41.45 69.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.2 -177.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.71 -41.26 98.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.784 -174.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -69.3 -36.07 76.65 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.113 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 91' ' ' ASP . 57.7 t -61.42 -43.33 96.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.384 177.296 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 85.0 mt -62.9 -47.37 93.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.817 177.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -61.47 -38.98 89.25 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.951 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.79 -40.08 82.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.928 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.03 -39.43 79.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.682 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.76 -31.76 72.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.783 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.06 -17.65 63.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.453 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.557 HD11 HD23 ' A' ' 81' ' ' LEU . 86.9 mt -83.18 -25.8 31.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.716 0.293 . . . . 0.0 111.171 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.419 HD13 HG13 ' A' ' 60' ' ' VAL . 25.9 pt -101.92 -46.2 11.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -177.248 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.414 ' N ' HG13 ' A' ' 103' ' ' ILE . 21.0 t70 . . . . . 0 C--N 1.325 -0.478 0 CA-C-O 120.868 0.366 . . . . 0.0 111.146 -174.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.609 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 55.2 mttp . . . . . 0 C--O 1.236 0.376 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.1 148.26 36.16 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 176.191 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -92.21 118.93 31.35 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.405 HG12 ' CG2' ' A' ' 60' ' ' VAL . 53.3 mt -127.0 126.75 68.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.136 -176.177 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.665 HG13 ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -106.22 123.27 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 171.29 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.474 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -130.87 138.43 49.82 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 -174.487 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.7 t -120.58 119.62 60.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.967 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.632 HG22 ' HB3' ' A' ' 64' ' ' ALA . 17.6 p -102.98 120.32 40.43 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.111 176.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.688 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . . . -137.14 161.16 36.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.764 -175.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 1.017 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 45.0 t -154.86 152.41 29.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.225 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.609 ' HB2' ' HB ' ' A' ' 67' ' ' THR . . . -111.92 -17.27 12.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.952 0.406 . . . . 0.0 110.789 178.176 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 p -100.07 -87.08 0.37 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.372 -177.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.13 112.94 4.49 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.499 177.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 49.9 t -58.43 -34.15 49.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.716 0.293 . . . . 0.0 111.48 -175.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.84 -21.59 57.06 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -177.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -63.87 -29.3 70.5 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 121.175 -0.21 . . . . 0.0 111.156 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.1 p -62.28 -52.64 62.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.928 0.394 . . . . 0.0 110.962 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -59.93 -45.66 91.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.871 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.8 ttt -59.03 -47.31 85.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.974 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.654 ' HA ' HG12 ' A' ' 89' ' ' ILE . . . -61.41 -46.91 88.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.525 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.14 -46.43 88.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.362 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -63.52 -47.9 79.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.492 -178.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.457 ' O ' ' HB3' ' A' ' 27' ' ' LYS . . . -68.95 -38.57 79.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.014 0.435 . . . . 0.0 110.988 -177.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.9 tp -64.52 -46.97 80.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.829 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -66.27 -28.83 69.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.441 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 24' ' ' ALA . 53.1 tptt -57.42 -50.72 72.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.368 175.39 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.6 -36.58 92.62 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.281 -178.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.7 95.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.672 0.272 . . . . 0.0 110.836 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -69.75 -34.86 74.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.949 0.404 . . . . 0.0 110.374 178.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.1 tttm -60.39 -37.6 81.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.978 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 79.0 mtm -96.97 -14.97 21.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.505 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.57 52.82 2.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 0.0 113.11 176.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.583 ' HA ' ' HA ' ' A' ' 2' ' ' LYS . 51.2 m-80 -119.91 172.2 7.89 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.754 0.311 . . . . 0.0 110.668 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.609 ' HG ' ' HB3' ' A' ' 2' ' ' LYS . 90.3 mt -112.71 115.15 28.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.922 178.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.0 tt -127.11 139.38 52.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.261 0.553 . . . . 0.0 110.994 -175.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -115.43 102.13 9.54 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.786 175.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 16.4 t -99.82 124.22 53.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.498 -178.411 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.787 ' HG3' ' H ' ' A' ' 49' ' ' GLU . 26.8 tt0 -95.56 141.8 28.64 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.215 175.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.468 ' HB ' ' HB3' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -96.81 98.42 10.12 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 177.683 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.688 ' HB3' ' HB2' ' A' ' 10' ' ' ALA . 3.4 tt0 -95.11 90.02 5.76 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 177.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.31 -70.38 1.0 Allowed Glycine 0 C--N 1.33 0.228 0 CA-C-N 114.72 -1.127 . . . . 0.0 113.359 -167.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -129.29 69.11 1.41 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.1 m 62.97 17.98 10.51 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.785 0.802 . . . . 0.0 109.713 -174.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.481 ' O ' ' HA ' ' A' ' 41' ' ' GLN . . . -126.09 154.53 18.9 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.255 -178.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.659 HD11 ' HB2' ' A' ' 70' ' ' ARG . 22.5 mm -92.16 140.57 15.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -170.265 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.468 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 19.1 tt0 -117.47 -62.06 1.62 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.04 0.447 . . . . 0.0 110.475 172.006 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.607 ' HB3' ' HA ' ' A' ' 39' ' ' GLU . 7.4 t30 -74.98 -49.72 19.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.418 -175.342 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.787 ' H ' ' HG3' ' A' ' 39' ' ' GLU . 38.1 tt0 71.74 123.12 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 O-C-N 124.07 0.856 . . . . 0.0 111.772 -178.374 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.464 HD13 ' HB ' ' A' ' 6' ' ' ILE . 81.3 mt -95.98 116.4 28.88 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.45 174.306 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.487 ' O ' HG23 ' A' ' 55' ' ' VAL . 82.3 p -77.27 171.79 14.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.93 -175.242 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.495 ' OE2' ' HG2' ' A' ' 53' ' ' LYS . 0.9 OUTLIER -56.92 -45.17 82.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 -179.158 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.495 ' HG2' ' OE2' ' A' ' 52' ' ' GLU . 32.1 mmtm -53.06 -53.56 48.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.351 175.039 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -53.2 -48.0 68.44 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 -178.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 51' ' ' THR . 89.0 t -59.81 -44.56 94.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.015 -177.513 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -83.35 -14.6 52.5 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.645 0.259 . . . . 0.0 111.648 -175.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 53' ' ' LYS . 88.4 mt -84.24 -47.41 17.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 173.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.533 ' HA3' HG23 ' A' ' 6' ' ' ILE . . . -59.79 131.96 50.93 Favored Glycine 0 C--N 1.332 0.329 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.451 178.556 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -90.1 -56.16 3.33 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.776 0.322 . . . . 0.0 110.278 -176.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.535 ' HA ' HG13 ' A' ' 79' ' ' VAL . 22.1 m -101.57 144.33 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.736 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.59 HG22 HD11 ' A' ' 6' ' ' ILE . 39.5 t -109.57 125.37 66.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.954 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.3 mt -116.71 119.72 62.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.866 0.365 . . . . 0.0 110.38 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -106.74 110.04 22.11 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.983 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.682 ' HB2' ' HG3' ' A' ' 88' ' ' PRO . . . -106.6 91.1 3.54 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 172.219 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.587 HG12 ' HB3' ' A' ' 10' ' ' ALA . 18.4 m -135.1 155.39 37.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -168.066 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 1.017 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 38.1 t70 -112.6 14.64 20.15 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.399 -1.273 . . . . 0.0 108.762 175.241 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.609 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 15.0 t -171.9 -165.04 0.34 Allowed 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.573 -178.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -73.87 177.34 5.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 111.283 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.479 ' CG1' HG11 ' A' ' 65' ' ' VAL . 28.6 m -134.9 154.23 36.17 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 CA-C-O 121.25 0.548 . . . . 0.0 111.163 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.659 ' HB2' HD11 ' A' ' 46' ' ' ILE . 19.2 mmt180 -90.22 -21.41 22.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.789 176.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.603 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 24.8 m-80 -82.75 -8.61 59.58 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -174.1 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.453 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 29.0 tptp -59.82 -24.55 64.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.913 0.387 . . . . 0.0 110.391 -177.587 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -55.12 -42.28 72.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.799 178.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' A' ' 71' ' ' ASN . 9.5 ptp180 -92.32 -16.92 25.41 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -169.531 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.802 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 17.7 m-85 -92.67 46.46 1.24 Allowed 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.223 -0.298 . . . . 0.0 110.844 178.066 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.402 ' CG ' ' H ' ' A' ' 77' ' ' GLY . 3.1 p-10 -61.07 -80.77 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.928 -177.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.402 ' H ' ' CG ' ' A' ' 76' ' ' ASP . . . -86.26 47.98 3.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.095 -0.574 . . . . 0.0 111.759 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.802 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 28.2 mtpp -126.93 159.54 33.69 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -178.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.535 HG13 ' HA ' ' A' ' 60' ' ' VAL . 4.0 p -82.45 117.01 27.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.285 0.564 . . . . 0.0 110.656 -176.638 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.505 ' HA ' ' HB ' ' A' ' 61' ' ' VAL . 90.4 t -111.52 119.13 59.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.293 -176.06 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.641 HD23 HD11 ' A' ' 102' ' ' LEU . 3.2 tm? -109.6 107.87 18.1 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 174.568 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -102.9 135.62 44.24 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.081 -176.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 18.6 m -139.92 158.77 66.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.666 177.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.443 ' HG2' ' HB2' ' A' ' 87' ' ' ALA . 19.4 Cg_endo -60.37 149.28 86.85 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 121.898 1.732 . . . . 0.0 110.637 171.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.7 p -56.22 -30.96 31.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -174.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.491 ' HA ' HD12 ' A' ' 89' ' ' ILE . 32.3 t -75.5 -20.14 58.94 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.443 ' HB2' ' HG2' ' A' ' 84' ' ' PRO . . . -64.58 -54.58 35.73 Favored Pre-proline 0 CA--C 1.538 0.483 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -171.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.682 ' HG3' ' HB2' ' A' ' 64' ' ' ALA . 64.6 Cg_endo -70.72 -4.25 14.3 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 122.094 1.863 . . . . 0.0 112.712 -175.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.654 HG12 ' HA ' ' A' ' 21' ' ' ALA . 60.1 mt -79.22 -38.36 20.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.42 0.629 . . . . 0.0 109.65 176.367 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -95.94 -48.98 5.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.089 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.64 ' HB3' ' HB3' ' A' ' 94' ' ' LYS . 53.9 m-20 -105.19 41.96 1.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.45 -173.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.22 -49.48 63.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.592 0.234 . . . . 0.0 111.55 -176.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -59.09 -43.23 91.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.166 0.508 . . . . 0.0 110.195 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.64 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 62.2 tttm -71.1 -38.37 72.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.642 -172.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 91' ' ' ASP . 99.8 t -64.08 -44.57 97.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.505 177.51 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 76.2 mt -64.22 -44.67 97.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.643 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -62.75 -41.41 99.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.276 178.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.482 ' O ' ' HG ' ' A' ' 102' ' ' LEU . . . -59.87 -42.37 93.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.226 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.53 93.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.814 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 80.5 mt -69.72 -35.24 74.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.635 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.19 -18.57 64.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.668 -179.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.641 HD11 HD23 ' A' ' 81' ' ' LEU . 80.3 mt -76.78 -32.58 57.78 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.354 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 104' ' ' ASP . 28.7 pt -105.56 -42.05 6.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -176.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.459 ' N ' HG13 ' A' ' 103' ' ' ILE . 22.9 t70 . . . . . 0 C--N 1.321 -0.65 0 CA-C-O 120.79 0.329 . . . . 0.0 110.409 -175.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 94.2 mttt . . . . . 0 N--CA 1.464 0.272 0 CA-C-O 120.868 0.366 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.406 ' NH1' ' HG3' ' A' ' 59' ' ' GLU . 4.3 tpt85 -63.62 128.63 36.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.476 -174.711 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp -82.46 120.31 25.3 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.876 -177.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 75.4 mt -139.07 134.79 41.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.879 0.371 . . . . 0.0 111.506 -176.171 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.702 HD11 HG22 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -115.89 135.83 54.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 169.864 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -135.66 130.76 34.82 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 122.333 -0.23 . . . . 0.0 110.454 -176.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.2 t -107.95 113.3 43.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.207 0.527 . . . . 0.0 110.774 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.427 HG22 ' HB3' ' A' ' 64' ' ' ALA . 22.6 p -102.38 118.16 36.28 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.564 175.533 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.758 ' HB3' HG12 ' A' ' 65' ' ' VAL . . . -139.3 127.22 22.2 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.883 0.373 . . . . 0.0 111.311 -175.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.55 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 41.5 t -158.28 130.79 7.09 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.353 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.19 -36.96 34.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.06 0.457 . . . . 0.0 110.494 -178.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.4 p -96.46 125.11 40.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.169 -177.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.39 74.21 0.92 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.192 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.9 t -56.91 -34.85 45.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.912 0.386 . . . . 0.0 111.209 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.76 -29.02 69.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.69 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -73.52 -41.25 63.29 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.55 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 5.9 m -57.57 -50.46 73.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.484 176.633 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -68.66 -32.27 71.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.006 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 24.8 ttt -62.92 -45.77 90.94 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.106 -0.237 . . . . 0.0 110.591 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.95 -37.76 83.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.081 0.467 . . . . 0.0 110.155 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.642 ' HA ' HG11 ' A' ' 38' ' ' VAL . . . -64.68 -49.58 70.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.473 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -73.21 -29.28 62.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.136 -178.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.86 -46.01 72.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.929 0.395 . . . . 0.0 110.127 176.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.594 HD21 ' HB3' ' A' ' 88' ' ' PRO . 62.8 mt -61.55 -44.1 97.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.136 175.082 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -58.76 -37.9 77.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.148 0.499 . . . . 0.0 110.136 176.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -67.1 -52.59 39.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.22 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.7 -48.67 83.67 Favored Glycine 0 CA--C 1.518 0.275 0 CA-C-N 115.955 -0.566 . . . . 0.0 113.239 -176.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.86 -32.94 74.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.736 0.303 . . . . 0.0 111.338 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.409 ' HB2' ' NZ ' ' A' ' 30' ' ' LYS . 4.8 ttmp? -69.14 -37.62 78.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.005 0.431 . . . . 0.0 110.271 177.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -60.43 -41.48 94.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.406 177.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 84.6 mtp -74.85 -24.41 58.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.257 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.91 57.88 1.46 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.063 -0.589 . . . . 0.0 111.762 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -128.76 177.66 6.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.825 0.345 . . . . 0.0 111.213 -173.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 mp -114.36 107.84 16.11 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 176.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.464 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 15.3 tt -125.79 134.39 66.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.38 0.609 . . . . 0.0 111.3 -173.247 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -116.63 104.24 11.19 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.072 173.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.642 HG11 ' HA ' ' A' ' 22' ' ' ALA . 17.6 t -94.55 125.32 47.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.026 -178.579 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.67 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 29.8 tt0 -96.29 132.19 42.03 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.959 177.697 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.92 ' HB ' ' HB3' ' A' ' 47' ' ' GLU . 13.9 m -108.16 102.28 11.44 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.522 ' O ' ' HA ' ' A' ' 10' ' ' ALA . 4.5 tt0 -103.92 110.74 22.99 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -178.739 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.69 -111.75 3.57 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.369 -0.919 . . . . 0.0 112.734 -174.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.72 81.46 5.81 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.581 0.229 . . . . 0.0 110.603 -175.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.7 p 51.97 22.94 1.96 Allowed 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.624 0.77 . . . . 0.0 111.784 -177.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -139.34 150.44 21.31 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 178.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -110.49 130.35 63.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 C-N-CA 120.404 -0.519 . . . . 0.0 110.849 -173.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.92 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 8.3 tp10 -79.74 -49.17 12.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.382 0.611 . . . . 0.0 109.476 177.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -130.21 79.4 1.9 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.661 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -74.32 125.17 27.88 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.269 0.557 . . . . 0.0 111.249 -177.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.67 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 70.8 mt -76.07 149.54 37.46 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.359 -179.022 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.8 p -106.78 172.72 6.66 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.056 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -59.12 -42.34 90.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.825 0.345 . . . . 0.0 111.166 -174.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.19 -39.45 82.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.317 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -67.71 -42.95 81.18 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.745 0.783 . . . . 0.0 109.738 -177.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.121 HG21 ' HD2' ' A' ' 74' ' ' ARG . 72.5 t -62.36 -44.15 98.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 114.333 -1.303 . . . . 0.0 111.811 -177.39 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -78.66 -11.8 59.99 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.401 -175.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 68.9 mt -88.31 -42.69 15.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.109 173.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.504 ' HA3' HD12 ' A' ' 6' ' ' ILE . . . -59.2 130.63 50.97 Favored Glycine 0 CA--C 1.521 0.406 0 C-N-CA 121.25 -0.5 . . . . 0.0 113.214 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.406 ' HG3' ' NH1' ' A' ' 3' ' ' ARG . 9.2 mm-40 -75.65 -55.05 6.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.997 0.427 . . . . 0.0 110.356 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.2 m -117.93 152.34 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.654 -179.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.702 HG22 HD11 ' A' ' 6' ' ' ILE . 8.2 t -117.32 121.88 68.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.31 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.9 mp -101.34 131.85 48.3 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -115.13 117.45 30.58 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.98 0.419 . . . . 0.0 110.995 178.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.712 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -114.94 90.16 3.27 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 170.128 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.758 HG12 ' HB3' ' A' ' 10' ' ' ALA . 22.2 m -132.91 135.61 56.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -167.529 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.523 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 0.8 OUTLIER -101.15 -23.27 14.49 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 113.999 -1.455 . . . . 0.0 109.277 172.813 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.3 t -125.2 -169.98 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.095 -177.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.444 ' HE2' ' HB3' ' A' ' 68' ' ' LYS . 28.3 ttpt -86.73 148.9 25.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.386 -178.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 72' ' ' LYS . 22.3 m -120.6 143.04 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.861 0.362 . . . . 0.0 110.164 176.158 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -76.77 -32.81 57.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.007 0.432 . . . . 0.0 111.177 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -82.35 -7.27 59.63 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -169.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.486 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 82.9 tttt -60.02 -23.15 63.45 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 177.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -41.02 -52.42 3.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.839 175.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 1.121 ' HD2' HG21 ' A' ' 55' ' ' VAL . 11.8 ptp180 -83.22 -32.63 26.41 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -178.4 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.486 ' HD2' ' HA ' ' A' ' 72' ' ' LYS . 24.6 m-85 -67.93 -8.47 37.12 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.82 0.343 . . . . 0.0 111.123 177.075 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.96 -42.57 85.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.761 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -96.4 41.13 2.44 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.825 -0.703 . . . . 0.0 111.928 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -140.11 176.43 8.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.726 0.298 . . . . 0.0 110.206 -178.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.491 HG11 HG23 ' A' ' 103' ' ' ILE . 59.3 t -92.67 118.9 39.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 178.335 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.616 HG12 ' HB ' ' A' ' 61' ' ' VAL . 2.8 m -127.09 161.21 34.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.304 0.574 . . . . 0.0 111.75 -174.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.636 HD23 HD11 ' A' ' 102' ' ' LEU . 3.3 tm? -133.94 108.51 8.45 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 174.54 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -107.62 124.68 50.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.036 -173.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.447 ' HB ' ' HD2' ' A' ' 84' ' ' PRO . 11.7 m -139.38 169.67 11.78 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.449 -178.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.447 ' HD2' ' HB ' ' A' ' 83' ' ' VAL . 33.4 Cg_exo -61.01 148.76 91.87 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.513 2.142 . . . . 0.0 111.244 173.384 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.712 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 11.8 p -61.53 -28.04 43.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -175.376 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.3 t -73.74 -24.27 59.86 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 120.756 0.312 . . . . 0.0 111.525 -178.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.609 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -63.51 -54.56 42.35 Favored Pre-proline 0 CA--C 1.539 0.54 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -173.533 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.677 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 15.7 Cg_exo -70.02 -1.29 8.44 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 122.253 1.968 . . . . 0.0 113.075 -176.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 38.2 mt -76.14 -45.0 36.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.854 0.359 . . . . 0.0 110.456 177.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -96.66 -26.86 15.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.534 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.542 ' O ' HG23 ' A' ' 95' ' ' VAL . 37.0 m-20 -121.78 40.76 3.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.482 -175.194 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.56 -49.39 65.03 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -176.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.2 mp0 -63.69 -37.8 88.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.826 0.346 . . . . 0.0 110.927 -178.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 38.3 ttpt -72.82 -34.63 66.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.406 -175.504 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 91' ' ' ASP . 84.8 t -64.66 -42.99 96.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.17 0.509 . . . . 0.0 109.994 176.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.509 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 94.9 mt -64.2 -48.18 86.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.663 177.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -60.63 -38.58 85.23 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.307 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.422 ' O ' ' HG ' ' A' ' 102' ' ' LEU . . . -63.57 -45.28 91.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.878 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.81 98.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.066 0.46 . . . . 0.0 111.032 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 91.6 mt -66.4 -35.78 81.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.182 -179.63 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.39 -21.37 64.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.536 -178.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.636 HD11 HD23 ' A' ' 81' ' ' LEU . 81.8 mt -65.92 -25.58 67.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.989 -178.752 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.491 HG23 HG11 ' A' ' 79' ' ' VAL . 29.5 pt -115.33 -32.68 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.684 179.069 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.1 t70 . . . . . 0 C--N 1.327 -0.402 0 CA-C-O 120.577 0.227 . . . . 0.0 110.966 -177.529 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 46.0 mttp . . . . . 0 CA--C 1.52 -0.201 0 CA-C-O 120.831 0.348 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -140.56 131.81 26.58 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 172.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.701 ' HB3' ' HA2' ' A' ' 58' ' ' GLY . 43.3 mmtm -83.01 122.68 28.62 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 173.189 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 57.3 mt -129.55 114.18 30.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 110.477 -0.194 . . . . 0.0 110.477 -178.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.735 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -96.18 119.45 44.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.421 0.629 . . . . 0.0 109.503 174.718 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -127.18 130.13 49.15 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.786 -174.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.42 ' HB ' ' CD1' ' A' ' 63' ' ' PHE . 58.1 t -109.45 126.28 66.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.042 0.448 . . . . 0.0 110.536 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.569 HG22 ' HB3' ' A' ' 64' ' ' ALA . 18.8 p -115.51 122.77 46.73 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.835 177.201 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.444 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -145.39 97.51 3.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.739 0.304 . . . . 0.0 111.534 -179.524 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.937 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 41.8 t -108.8 125.93 52.49 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 176.537 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.75 -31.43 18.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.064 0.459 . . . . 0.0 110.154 178.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.2 m -62.11 -60.02 4.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.062 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.31 117.05 1.54 Allowed Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.474 -0.869 . . . . 0.0 112.329 -177.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.6 m -64.76 -18.92 24.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.064 0.459 . . . . 0.0 111.051 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.57 -31.56 72.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.582 175.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -72.21 -41.9 66.38 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.437 HG21 ' O ' ' A' ' 41' ' ' GLN . 20.3 m -58.43 -48.45 80.66 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.512 178.243 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -72.06 -41.9 66.89 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.958 -175.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 18.9 tpt -63.85 -43.1 97.16 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.15 -48.09 81.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.783 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.24 -34.61 76.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.083 -176.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -80.53 -42.01 23.17 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.151 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.46 -40.8 89.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.173 0.511 . . . . 0.0 110.339 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.2 tp -66.22 -37.26 85.13 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.446 177.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -63.99 -45.37 89.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.967 177.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -63.42 -39.0 93.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.068 176.255 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.76 -43.3 98.0 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.024 174.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.02 -41.12 97.54 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -59.13 -38.21 79.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.993 175.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -58.1 -42.85 86.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.683 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.649 ' HB2' ' ND2' ' A' ' 34' ' ' ASN . 90.4 mmm -95.36 3.67 54.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.982 -176.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.16 33.76 56.36 Favored Glycine 0 C--N 1.333 0.388 0 CA-C-N 116.014 -0.539 . . . . 0.0 113.431 174.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.649 ' ND2' ' HB2' ' A' ' 32' ' ' MET . 34.0 m-80 -97.03 170.76 8.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.11 0.481 . . . . 0.0 110.757 -178.073 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 mp -116.16 105.71 12.89 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 176.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.9 tt -103.27 140.51 21.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.487 0.66 . . . . 0.0 111.431 -171.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.808 ' HG3' HD22 ' A' ' 50' ' ' LEU . 9.5 tppt? -116.39 98.76 6.75 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 175.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 7.3 p -101.85 135.45 38.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.337 0.589 . . . . 0.0 111.691 -173.668 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.774 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 33.3 tt0 -109.38 125.65 52.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.655 176.599 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.564 ' OG1' ' HB3' ' A' ' 47' ' ' GLU . 0.9 OUTLIER -108.07 105.29 14.98 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.391 -178.599 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.466 ' HG2' HG12 ' A' ' 46' ' ' ILE . 31.7 mt-30 -104.61 -156.53 0.57 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 175.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 151.06 -88.9 0.13 Allowed Glycine 0 C--N 1.314 -0.681 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.464 173.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.45 83.43 2.45 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.557 0.217 . . . . 0.0 110.786 -178.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.0 m 73.48 -39.16 0.43 Allowed 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 176.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.01 157.43 15.58 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.8 -170.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.466 HG12 ' HG2' ' A' ' 41' ' ' GLN . 60.9 mt -118.37 131.24 71.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.333 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.564 ' HB3' ' OG1' ' A' ' 40' ' ' THR . 36.2 tt0 -80.99 -40.17 24.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.94 0.4 . . . . 0.0 111.242 -176.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.56 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 6.0 t30 -129.01 83.98 2.19 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 -178.08 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -69.08 119.8 13.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.739 -176.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.808 HD22 ' HG3' ' A' ' 37' ' ' LYS . 33.6 mt -82.05 118.2 22.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.965 177.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.477 ' O ' HG23 ' A' ' 55' ' ' VAL . 67.1 p -72.74 167.38 20.96 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -60.57 -26.64 67.09 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.539 ' O ' HG13 ' A' ' 57' ' ' ILE . 32.1 ttpt -67.26 -55.52 13.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.192 176.504 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.444 ' HB3' ' HG2' ' A' ' 37' ' ' LYS . 44.1 m-20 -55.81 -40.98 73.51 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.28 0.562 . . . . 0.0 110.662 -177.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.787 HG21 ' HG3' ' A' ' 74' ' ' ARG . 58.6 t -68.55 -34.93 68.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.317 -177.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -73.67 -26.71 60.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.699 0.285 . . . . 0.0 110.742 177.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.539 HG13 ' O ' ' A' ' 53' ' ' LYS . 76.3 mt -68.67 -47.78 74.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.137 176.184 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.701 ' HA2' ' HB3' ' A' ' 4' ' ' LYS . . . -63.37 138.26 43.17 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.985 -0.552 . . . . 0.0 113.321 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -80.56 -69.75 0.58 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.047 0.451 . . . . 0.0 109.932 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.0 m -97.84 148.61 5.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.087 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.625 ' HB ' HG12 ' A' ' 80' ' ' VAL . 31.1 t -110.82 136.99 45.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.994 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.5 mt -124.52 127.57 73.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 176.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.724 ' HB2' ' HG2' ' A' ' 82' ' ' GLU . 41.4 m-85 -112.14 107.67 16.67 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.914 179.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.685 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -107.92 90.41 3.29 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 172.266 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.0 m -132.47 145.95 33.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.712 0.768 . . . . 0.0 112.886 -170.052 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.937 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 19.5 t70 -108.19 -11.43 15.25 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.308 -1.315 . . . . 0.0 109.214 176.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.1 t -139.78 -170.75 3.0 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.416 178.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -74.3 146.78 42.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.221 0.534 . . . . 0.0 111.465 -176.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.3 p -109.53 118.26 56.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.094 174.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.497 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 12.9 ttm180 -74.52 -45.3 46.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.834 -175.077 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.409 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 10.9 m-20 -66.65 -6.18 14.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.479 -176.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.499 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 31.6 ttmt -50.09 -22.8 1.78 Allowed 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.212 0.32 . . . . 0.0 111.075 177.56 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 29.8 mt-10 -41.02 -47.41 3.06 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.756 176.095 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.787 ' HG3' HG21 ' A' ' 55' ' ' VAL . 8.2 ptp180 -85.57 -21.98 28.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.392 -175.356 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.809 ' HA ' ' HG3' ' A' ' 78' ' ' LYS . 55.9 m-85 -88.67 16.91 6.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.982 0.42 . . . . 0.0 110.309 176.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -82.26 -49.06 10.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.536 -173.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.15 46.08 3.22 Favored Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 173.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.809 ' HG3' ' HA ' ' A' ' 75' ' ' PHE . 12.0 mmmt -132.56 166.58 21.76 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 -174.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.8 p -96.4 108.68 21.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 176.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.625 HG12 ' HB ' ' A' ' 61' ' ' VAL . 2.2 m -116.81 153.24 18.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.184 0.516 . . . . 0.0 111.746 -172.39 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.526 HD23 HD11 ' A' ' 102' ' ' LEU . 1.9 tm? -129.59 115.87 18.04 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 173.64 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.724 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 42.3 mt-10 -104.55 134.73 47.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.257 0.551 . . . . 0.0 111.722 -173.605 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.442 ' HB ' ' HD2' ' A' ' 84' ' ' PRO . 17.4 m -142.9 164.64 30.95 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.511 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.546 ' HG2' ' HB2' ' A' ' 87' ' ' ALA . 23.0 Cg_endo -61.63 150.44 85.54 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.0 1.8 . . . . 0.0 110.92 171.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.685 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 8.8 p -64.63 -28.26 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.22 0.533 . . . . 0.0 110.894 -175.412 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.44 ' HA ' HD12 ' A' ' 89' ' ' ILE . 15.4 m -74.35 -18.89 60.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.762 -0.653 . . . . 0.0 112.486 -178.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.638 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -67.49 -57.72 9.84 Favored Pre-proline 0 CA--C 1.539 0.544 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -174.338 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.638 ' HD3' ' HB3' ' A' ' 87' ' ' ALA . 14.4 Cg_exo -68.54 0.48 4.72 Favored 'Trans proline' 0 C--N 1.359 1.119 0 C-N-CA 122.369 2.046 . . . . 0.0 113.043 -174.162 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 86' ' ' SER . 96.0 mt -72.61 -36.98 55.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 172.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -97.74 -64.9 1.0 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.886 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.834 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 11.9 p-10 -105.72 42.27 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.142 0.496 . . . . 0.0 111.654 -168.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' A' ' 88' ' ' PRO . . . -53.11 -35.39 59.61 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.859 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -59.15 -41.54 88.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.451 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.834 ' HD3' ' HB2' ' A' ' 91' ' ' ASP . 10.7 mtpt -66.27 -46.17 77.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.188 178.067 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 45.1 t -58.37 -40.92 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.856 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.591 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 82.2 mt -63.86 -50.5 77.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.706 179.014 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -63.35 -37.27 86.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.889 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.63 86.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.817 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.07 -42.08 66.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.605 177.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 79.3 mt -63.19 -38.85 92.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.641 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.11 -17.51 57.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.975 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.526 HD11 HD23 ' A' ' 81' ' ' LEU . 60.4 mt -73.85 -41.16 62.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.666 0.27 . . . . 0.0 111.321 -178.259 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 33.4 pt -98.09 -19.95 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.936 0.398 . . . . 0.0 111.362 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.229 -179.113 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 -65.34 119.32 10.74 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.392 -175.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.485 ' HE2' HD22 ' A' ' 35' ' ' LEU . 27.7 mmtp -79.16 109.83 13.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.436 177.326 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 62.9 mt -115.68 127.73 73.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.734 -177.041 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.729 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -104.48 129.8 56.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 174.474 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.455 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -135.02 141.1 46.11 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.842 0.353 . . . . 0.0 110.813 -175.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.549 ' HB ' ' CE1' ' A' ' 63' ' ' PHE . 64.1 t -128.88 132.11 67.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 177.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.532 HG21 ' HB2' ' A' ' 22' ' ' ALA . 4.0 t -124.91 135.38 52.81 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.744 177.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.613 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . . . -164.22 99.94 0.84 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.132 -173.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.473 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 42.0 t -94.52 -18.69 21.21 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 174.346 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.677 ' HB2' HG21 ' A' ' 67' ' ' THR . . . 64.2 -75.92 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.746 0.819 . . . . 0.0 112.02 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 m -62.43 -53.61 52.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.21 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.65 69.15 1.73 Allowed Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.789 -0.72 . . . . 0.0 111.357 175.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.409 HG22 ' HE2' ' A' ' 19' ' ' TYR . 12.8 p -58.66 -28.67 37.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 122.373 0.269 . . . . 0.0 111.624 -176.091 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.93 -30.7 71.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.066 0.46 . . . . 0.0 111.004 178.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -71.23 -32.59 68.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.815 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.8 m -58.38 -44.28 88.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.688 177.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.461 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 81.4 m-85 -71.84 -40.59 68.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.452 -177.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.3 tpt -61.78 -44.83 96.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.839 0.352 . . . . 0.0 110.755 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.96 -46.94 85.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.707 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.532 ' HB2' HG21 ' A' ' 9' ' ' THR . . . -57.79 -50.76 72.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.908 -178.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 19' ' ' TYR . 4.2 pt20 -66.91 -41.97 86.22 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.734 -175.306 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.32 -46.76 66.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.904 0.383 . . . . 0.0 110.79 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.0 tp -57.8 -47.02 83.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.092 177.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -68.38 -30.34 69.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.944 -177.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -64.4 -48.44 75.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.507 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.31 -29.37 71.91 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 121.081 -0.581 . . . . 0.0 112.481 -178.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.23 -44.49 91.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.663 0.268 . . . . 0.0 111.139 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -69.57 -31.31 69.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.414 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -58.62 -44.44 89.99 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.509 178.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.1 mmt -78.04 -5.17 50.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.246 -177.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.55 47.73 7.16 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.887 176.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -127.84 173.8 9.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.819 0.343 . . . . 0.0 110.61 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.485 HD22 ' HE2' ' A' ' 4' ' ' LYS . 9.7 mp -111.64 124.39 52.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.726 177.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.4 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 16.8 tt -127.23 140.3 49.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.114 0.483 . . . . 0.0 110.667 -176.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -116.61 103.43 10.38 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.448 176.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.455 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 19.2 t -101.82 122.05 53.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.904 0.383 . . . . 0.0 110.982 -176.307 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.682 ' OE1' ' HA ' ' A' ' 49' ' ' GLU . 29.4 tt0 -94.83 124.45 38.87 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.985 178.02 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.0 p -100.32 107.51 19.32 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.172 0.511 . . . . 0.0 110.412 176.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.735 ' HG3' HG12 ' A' ' 46' ' ' ILE . 6.8 tt0 -109.81 106.13 15.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.409 179.364 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.574 ' O ' ' HA ' ' A' ' 12' ' ' ALA . . . -87.31 -105.04 0.86 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.214 -176.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' A' ' 45' ' ' GLY . . . -118.94 89.13 3.07 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.1 m 71.12 -10.45 0.77 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.857 -176.205 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' A' ' 43' ' ' ALA . . . -107.87 110.31 3.13 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.85 -177.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.735 HG12 ' HG3' ' A' ' 41' ' ' GLN . 16.0 mt -99.92 131.11 47.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.026 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -104.21 21.46 16.5 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.944 -173.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -161.15 -68.28 0.06 Allowed 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 121.183 -0.207 . . . . 0.0 110.691 -179.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.682 ' HA ' ' OE1' ' A' ' 39' ' ' GLU . 31.4 tt0 61.35 97.84 0.03 OUTLIER 'General case' 0 C--O 1.237 0.422 0 O-C-N 123.9 0.75 . . . . 0.0 110.423 -174.062 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.47 HD13 ' HB ' ' A' ' 6' ' ' ILE . 80.4 mt -61.37 130.46 46.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.717 -177.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.453 ' O ' HG23 ' A' ' 55' ' ' VAL . 30.7 p -74.66 159.79 31.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.186 -178.509 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.99 -33.5 70.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.913 0.387 . . . . 0.0 110.016 176.725 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.512 ' O ' HG13 ' A' ' 57' ' ' ILE . 16.9 tptp -65.96 -52.29 51.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.163 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -57.39 -40.35 78.0 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.048 0.451 . . . . 0.0 110.869 178.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.708 HG11 ' HB3' ' A' ' 74' ' ' ARG . 41.1 t -61.57 -35.04 64.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.335 -0.848 . . . . 0.0 112.043 -179.213 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -82.19 -31.03 30.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.647 0.26 . . . . 0.0 111.154 178.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 53' ' ' LYS . 82.3 mt -65.55 -48.13 83.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.931 0.396 . . . . 0.0 109.972 176.403 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.83 143.47 43.62 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.692 174.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -98.33 -66.99 0.87 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.806 0.336 . . . . 0.0 110.769 -177.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.489 HG21 ' HB1' ' A' ' 99' ' ' ALA . 14.6 p -94.72 144.1 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -178.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.717 ' HB ' ' HB ' ' A' ' 80' ' ' VAL . 13.2 t -109.9 142.42 22.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.699 -176.102 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.7 mt -119.43 117.52 54.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.362 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.549 ' CE1' ' HB ' ' A' ' 8' ' ' VAL . 1.5 m-85 -106.06 119.33 38.93 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.007 0.432 . . . . 0.0 110.783 177.154 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.49 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -122.72 88.84 3.0 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 171.385 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.522 HG12 ' N ' ' A' ' 10' ' ' ALA . 28.9 m -141.42 174.88 6.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.238 0.542 . . . . 0.0 111.795 -168.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.473 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 18.6 t70 -135.73 -17.54 1.69 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.716 173.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.677 HG21 ' HB2' ' A' ' 12' ' ' ALA . 15.1 t -121.77 -166.33 1.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.007 -175.347 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -70.74 152.36 43.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.969 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.036 ' HB ' ' HG3' ' A' ' 72' ' ' LYS . 73.1 t -129.21 135.22 62.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.315 178.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.716 ' HD3' HD11 ' A' ' 46' ' ' ILE . 28.0 mtp-105 -88.7 -14.6 36.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -176.343 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.485 ' HA ' ' HE ' ' A' ' 74' ' ' ARG . 0.5 OUTLIER -86.05 -7.86 58.33 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.185 174.455 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 1.036 ' HG3' ' HB ' ' A' ' 69' ' ' VAL . 50.1 mtpt -55.61 -41.65 73.77 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -173.671 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -59.1 -33.12 70.46 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.768 0.318 . . . . 0.0 111.436 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.708 ' HB3' HG11 ' A' ' 55' ' ' VAL . 9.2 mtm180 -69.44 -35.67 75.9 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.955 178.713 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.654 ' CE1' HG13 ' A' ' 6' ' ' ILE . 11.8 m-85 -99.38 11.24 39.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.706 0.288 . . . . 0.0 110.927 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -70.62 -39.34 73.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.327 -170.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -101.09 26.9 22.97 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.718 177.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.426 ' HG3' ' HA ' ' A' ' 75' ' ' PHE . 1.6 mtmp? -128.65 -177.39 4.17 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -176.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.9 t -94.94 122.08 46.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.734 0.302 . . . . 0.0 110.523 -177.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.717 ' HB ' ' HB ' ' A' ' 61' ' ' VAL . 2.6 p -144.25 138.83 24.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.015 0.436 . . . . 0.0 111.152 -177.07 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.424 HD13 HD11 ' A' ' 102' ' ' LEU . 18.3 tp -100.17 123.32 44.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.449 173.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.57 109.76 21.77 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.5 m -119.99 160.77 41.56 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.654 176.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -56.73 148.31 66.4 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.324 2.016 . . . . 0.0 111.175 173.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.49 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 7.5 p -63.15 -24.91 37.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-O 120.849 0.357 . . . . 0.0 111.129 -175.593 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.7 m -74.93 -19.57 60.07 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 177.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.06 -51.28 37.37 Favored Pre-proline 0 CA--C 1.543 0.682 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -171.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -73.97 13.0 0.87 Allowed 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 121.973 1.782 . . . . 0.0 113.534 -174.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 94.3 mt -82.95 -58.46 3.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.633 0.254 . . . . 0.0 111.09 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -96.35 -13.31 23.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.822 0.344 . . . . 0.0 111.164 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.506 ' O ' HG23 ' A' ' 95' ' ' VAL . 23.9 m-20 -125.59 37.74 4.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.793 0.33 . . . . 0.0 111.067 -176.172 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.63 -46.48 77.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.339 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -64.76 -33.4 75.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.779 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.41 ' HG3' ' OD1' ' A' ' 91' ' ' ASP . 32.2 mmtp -66.61 -43.06 85.81 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.315 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 91' ' ' ASP . 62.4 t -60.9 -44.11 97.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.644 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.461 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 84.2 mt -62.36 -46.71 95.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.783 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -65.67 -38.95 90.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.237 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.97 -36.59 78.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.721 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.489 ' HB1' HG21 ' A' ' 60' ' ' VAL . . . -62.24 -37.51 85.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.428 177.264 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 84.2 mt -71.05 -31.44 67.88 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.468 178.208 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.4 -31.02 70.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.751 0.31 . . . . 0.0 110.888 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.424 HD11 HD13 ' A' ' 81' ' ' LEU . 90.7 mt -64.17 -37.27 86.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.746 178.033 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 26.7 pt -93.04 -1.19 10.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.071 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 38.8 t70 . . . . . 0 C--O 1.231 0.106 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.889 -171.298 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.8 mtmm . . . . . 0 C--O 1.235 0.295 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.864 ' HE ' ' HG3' ' A' ' 59' ' ' GLU . 4.8 tpt180 -151.56 148.11 27.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.799 172.536 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.435 ' CB ' ' HA2' ' A' ' 58' ' ' GLY . 73.3 mmtt -84.13 124.56 31.27 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 177.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.538 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 67.4 mt -132.41 131.66 60.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.904 0.383 . . . . 0.0 110.876 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.664 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -112.32 136.5 48.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 173.817 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.537 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -139.23 137.88 36.34 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.884 0.373 . . . . 0.0 111.172 -175.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.453 HG11 HG21 ' A' ' 69' ' ' VAL . 88.5 t -111.79 114.32 46.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.944 176.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.4 p -102.19 112.5 25.2 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.704 177.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.776 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . . . -129.05 145.28 51.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.803 -175.058 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.915 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 49.8 t -162.05 131.9 4.66 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 174.711 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.34 -16.84 12.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.942 0.401 . . . . 0.0 111.145 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.9 p -86.82 -52.11 5.68 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.03 0.443 . . . . 0.0 111.007 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -113.01 96.1 0.8 Allowed Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 177.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.475 HG12 ' HE2' ' A' ' 19' ' ' TYR . 31.8 t -56.53 -41.56 73.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.681 0.277 . . . . 0.0 111.735 -174.718 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.65 -27.3 67.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.519 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.6 m170 -67.28 -36.39 81.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.249 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.54 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 4.3 m -60.73 -46.77 89.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.969 -178.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.475 ' HE2' HG12 ' A' ' 15' ' ' VAL . 55.6 m-85 -70.74 -37.9 73.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.113 0.482 . . . . 0.0 110.455 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 51.0 ttm -66.91 -45.34 78.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.395 -176.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.442 ' HA ' HG12 ' A' ' 89' ' ' ILE . . . -59.22 -43.98 92.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.328 -177.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.499 ' O ' ' HG2' ' A' ' 26' ' ' LYS . . . -64.59 -51.32 63.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.811 -178.068 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -66.36 -35.24 79.85 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.232 -176.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.99 -41.27 71.18 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.186 0.517 . . . . 0.0 110.201 178.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.643 HD13 ' HB3' ' A' ' 88' ' ' PRO . 55.2 tp -62.47 -38.87 91.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.599 176.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 22' ' ' ALA . 12.7 mmmm -55.76 -43.12 76.38 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.189 177.471 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -61.23 -48.53 81.05 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.278 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.54 -40.68 98.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.433 -179.136 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.47 -50.27 63.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.06 0.457 . . . . 0.0 111.33 -178.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -67.96 -26.09 65.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.422 -177.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.466 ' HD2' ' OE1' ' A' ' 93' ' ' GLU . 35.0 ttmt -68.57 -35.6 77.61 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.977 0.418 . . . . 0.0 110.354 176.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 24.8 mmt -84.61 -4.89 59.22 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.216 -178.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.17 19.85 56.4 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.112 -0.566 . . . . 0.0 113.802 172.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -108.11 170.31 8.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 117.17 0.485 . . . . 0.0 110.88 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -111.5 117.05 31.95 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.846 -177.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.538 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 17.4 tt -120.88 142.23 37.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.325 0.583 . . . . 0.0 111.146 -174.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -122.17 107.8 12.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.155 177.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.537 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 23.2 m -100.76 133.35 44.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -173.527 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.895 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 24.6 tt0 -95.55 133.45 39.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.008 174.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . 1.036 ' HB ' ' HB3' ' A' ' 47' ' ' GLU . 6.4 m -97.38 98.08 9.66 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 176.608 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.776 ' HB3' ' HB2' ' A' ' 10' ' ' ALA . 7.4 tp-100 -106.23 127.2 53.06 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.761 -172.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -122.14 13.79 8.99 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.51 -0.852 . . . . 0.0 111.804 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 70.84 -52.36 0.67 Allowed 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.587 0.755 . . . . 0.0 111.269 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 m -69.22 -24.3 64.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.632 177.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.27 152.04 20.82 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.369 -178.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.735 HG12 HE22 ' A' ' 41' ' ' GLN . 20.5 mt -103.95 122.26 56.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 177.362 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 1.036 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 10.4 tp10 -85.02 -37.03 20.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.904 0.383 . . . . 0.0 110.256 -177.694 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -135.79 87.75 2.34 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.412 ' HG3' HD21 ' A' ' 71' ' ' ASN . 38.6 tt0 -67.11 121.72 16.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.397 -176.212 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.895 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 57.5 mt -82.43 107.92 15.46 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 173.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.544 ' O ' HG23 ' A' ' 55' ' ' VAL . 57.6 p -78.06 169.29 18.53 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.705 -176.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.499 ' H ' ' CD ' ' A' ' 52' ' ' GLU . 9.9 mp0 -52.6 -41.99 64.16 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 177.454 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.506 ' O ' HG12 ' A' ' 57' ' ' ILE . 87.1 tttt -52.97 -49.8 65.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.435 177.022 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -62.77 -44.63 95.67 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.228 0.537 . . . . 0.0 110.692 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.722 HG11 ' HG3' ' A' ' 74' ' ' ARG . 40.4 t -68.39 -34.65 67.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.726 -174.012 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -68.94 -25.77 64.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.203 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.506 HG12 ' O ' ' A' ' 53' ' ' LYS . 48.7 mm -78.89 -48.92 21.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.854 -177.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.435 ' HA2' ' CB ' ' A' ' 4' ' ' LYS . . . -67.19 142.79 41.85 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.033 -0.603 . . . . 0.0 113.446 -178.502 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.864 ' HG3' ' HE ' ' A' ' 3' ' ' ARG . 23.3 mm-40 -79.85 -70.55 0.51 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.106 0.479 . . . . 0.0 110.41 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.0 m -97.73 149.57 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.15 -176.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.69 HG11 ' HB3' ' A' ' 75' ' ' PHE . 31.6 t -110.45 118.65 57.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.347 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.7 mt -97.14 119.55 45.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.98 176.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.569 ' CZ ' ' HG3' ' A' ' 72' ' ' LYS . 20.0 m-85 -108.33 110.71 22.34 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.913 0.387 . . . . 0.0 111.143 177.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.591 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -116.73 90.78 3.41 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 170.644 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.604 HG12 ' HB3' ' A' ' 10' ' ' ALA . 27.5 m -130.53 137.2 56.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.732 0.777 . . . . 0.0 112.536 -169.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.915 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 6.6 t70 -96.74 -23.33 16.48 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.389 -1.278 . . . . 0.0 109.1 170.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.8 t -125.89 -170.96 2.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.065 -178.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -80.94 171.01 15.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.128 0.49 . . . . 0.0 111.378 -176.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.769 HG13 ' HB2' ' A' ' 72' ' ' LYS . 2.1 p -147.59 120.1 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.106 177.553 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.506 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 3.6 tmt_? -69.71 -39.92 76.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.73 -175.068 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.412 HD21 ' HG3' ' A' ' 49' ' ' GLU . 93.1 m-20 -68.36 -7.68 33.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.933 -175.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.769 ' HB2' HG13 ' A' ' 69' ' ' VAL . 19.2 ttpp -54.53 -23.7 17.62 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 122.545 0.338 . . . . 0.0 111.3 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 17.2 mt-10 -40.85 -53.0 2.97 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 123.88 0.737 . . . . 0.0 111.436 178.53 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.722 ' HG3' HG11 ' A' ' 55' ' ' VAL . 10.3 ptp180 -82.22 -34.34 28.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.79 -1.095 . . . . 0.0 111.895 -172.227 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.69 ' HB3' HG11 ' A' ' 61' ' ' VAL . 77.0 m-85 -70.54 -32.1 69.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.173 0.511 . . . . 0.0 110.767 -178.159 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.75 -26.28 67.66 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.341 -172.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -90.37 12.97 66.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.999 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -119.66 -164.58 1.08 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.1 t -82.88 115.67 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.0 t -114.18 137.47 47.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.0 0.428 . . . . 0.0 112.054 -171.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.589 HD23 HD11 ' A' ' 102' ' ' LEU . 3.1 tm? -132.13 113.44 13.33 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 172.746 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.548 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 48.4 mt-10 -105.15 135.63 46.15 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.823 0.344 . . . . 0.0 111.562 -175.252 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.458 ' HB ' ' HD2' ' A' ' 84' ' ' PRO . 15.4 m -141.01 164.03 38.56 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.602 177.017 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.51 ' HG2' ' HB2' ' A' ' 87' ' ' ALA . 27.6 Cg_endo -64.5 155.36 66.81 Favored 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 122.288 1.992 . . . . 0.0 111.119 172.747 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.591 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 12.2 p -65.6 -24.86 35.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.925 0.393 . . . . 0.0 111.117 -176.522 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.8 m -73.77 -22.45 59.84 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.611 178.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.579 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -63.5 -56.0 30.24 Favored Pre-proline 0 CA--C 1.535 0.374 0 N-CA-C 113.067 0.765 . . . . 0.0 113.067 -172.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.643 ' HB3' HD13 ' A' ' 25' ' ' LEU . 11.2 Cg_exo -72.01 7.27 1.76 Allowed 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 122.3 2.0 . . . . 0.0 113.318 -175.608 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.442 HG12 ' HA ' ' A' ' 21' ' ' ALA . 71.8 mt -87.79 -51.74 12.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 175.465 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 90' ' ' LYS . 53.1 mtpt -97.36 -30.53 12.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.829 179.516 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.498 ' O ' HG23 ' A' ' 95' ' ' VAL . 11.6 m-20 -121.34 34.33 5.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.876 -171.422 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 88' ' ' PRO . . . -53.38 -45.9 69.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.814 -177.573 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.466 ' OE1' ' HD2' ' A' ' 31' ' ' LYS . 36.2 mt-10 -67.27 -32.17 73.0 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.302 -176.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -70.67 -39.22 73.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.094 0.473 . . . . 0.0 109.973 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 91' ' ' ASP . 60.7 t -60.09 -42.26 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.263 176.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 92' ' ' ALA . 78.8 mt -61.01 -45.85 97.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.555 177.028 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -63.88 -33.38 75.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.173 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.97 -42.65 99.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.967 0.413 . . . . 0.0 110.28 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.65 -39.14 80.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.61 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 92.0 mt -64.11 -34.94 79.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.911 177.698 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.98 -23.38 67.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.411 -179.102 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.589 HD11 HD23 ' A' ' 81' ' ' LEU . 79.8 mt -77.88 -45.16 25.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.88 0.371 . . . . 0.0 110.948 -178.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.402 HG13 ' N ' ' A' ' 104' ' ' ASP . 27.6 pt -93.14 -39.63 11.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -175.331 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.402 ' N ' HG13 ' A' ' 103' ' ' ILE . 23.6 t70 . . . . . 0 C--N 1.323 -0.57 0 CA-C-O 120.588 0.232 . . . . 0.0 111.229 -172.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.5 ' HD3' ' O ' ' A' ' 33' ' ' GLY . 47.3 mmtm . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.033 0.444 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.55 ' HE ' ' HG3' ' A' ' 59' ' ' GLU . 3.6 tpt180 -87.58 138.37 31.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.415 -176.67 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -84.34 128.22 34.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.68 -179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.414 HG23 HG23 ' A' ' 60' ' ' VAL . 66.6 mt -139.37 137.68 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 121.151 -0.22 . . . . 0.0 110.621 -178.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.606 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -113.43 132.52 62.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 171.121 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.453 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -140.56 132.9 28.32 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.683 -176.115 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.7 t -110.16 114.83 48.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.016 0.436 . . . . 0.0 110.485 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.575 HG22 ' HB3' ' A' ' 64' ' ' ALA . 17.6 p -97.13 108.9 21.73 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.283 173.753 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.631 ' HA ' ' O ' ' A' ' 41' ' ' GLN . . . -127.25 103.03 7.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.861 0.362 . . . . 0.0 111.864 -173.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.658 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 42.8 t -124.56 131.27 53.49 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 176.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.24 -31.12 7.69 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.932 0.396 . . . . 0.0 110.745 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.0 m -71.72 -54.95 8.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.814 -178.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -114.32 93.94 0.66 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.942 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 m -61.8 -20.91 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -176.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.69 -27.47 64.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.069 0.461 . . . . 0.0 110.358 176.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -75.36 -34.73 61.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.62 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.446 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 2.6 m -55.68 -53.93 50.44 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.422 0.451 . . . . 0.0 111.23 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -75.68 -32.64 60.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.331 -175.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 51.2 ttm -70.54 -43.16 70.14 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.775 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.17 -44.72 95.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.694 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.462 ' O ' ' HG3' ' A' ' 26' ' ' LYS . . . -57.72 -49.14 77.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.329 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -69.83 -38.75 76.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.446 -177.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.468 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . . . -66.81 -39.96 87.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.19 0.519 . . . . 0.0 110.398 177.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.7 tp -62.99 -45.36 92.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.248 175.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 97.4 mttt -58.49 -42.45 87.6 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.568 175.701 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -61.63 -42.11 98.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.635 -177.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.443 ' HA3' ' HB1' ' A' ' 92' ' ' ALA . . . -72.69 -39.72 54.96 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.262 178.3 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.412 ' HA ' ' CD1' ' A' ' 96' ' ' ILE . . . -66.33 -41.98 88.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.902 0.382 . . . . 0.0 110.903 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.547 ' HA ' ' HE3' ' A' ' 30' ' ' LYS . 1.6 tpmt? -69.23 -29.11 66.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.28 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -61.55 -34.17 75.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.996 175.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 85.5 mmm -85.49 -6.03 59.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.547 178.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.5 ' O ' ' HD3' ' A' ' 2' ' ' LYS . . . 80.02 17.07 75.46 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.577 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -75.39 167.31 22.14 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.431 0.634 . . . . 0.0 111.514 -175.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 98.2 mt -117.0 92.74 3.94 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.528 173.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 15.8 tt -111.58 144.52 19.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.065 -171.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -116.57 103.37 10.33 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 35.4 t -93.85 117.53 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.07 -176.23 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.654 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 42.3 tt0 -94.52 148.99 21.69 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.09 -177.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.487 ' OG1' ' HB2' ' A' ' 47' ' ' GLU . 3.7 p -120.78 110.27 16.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.073 0.464 . . . . 0.0 111.597 -177.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.631 ' O ' ' HA ' ' A' ' 10' ' ' ALA . 41.8 tt0 -115.87 148.16 40.27 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 175.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -148.7 -75.1 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.356 -0.926 . . . . 0.0 111.949 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.63 79.18 1.33 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.616 0.246 . . . . 0.0 110.793 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.8 m 71.15 -37.57 0.4 Allowed 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 178.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.77 172.8 28.84 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.704 -171.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.4 HD13 ' HB2' ' A' ' 41' ' ' GLN . 35.0 mm -120.13 127.12 75.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -179.162 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.487 ' HB2' ' OG1' ' A' ' 40' ' ' THR . 48.8 mt-10 -85.58 -71.49 0.53 Allowed 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.276 179.076 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -81.66 71.07 8.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.467 0.651 . . . . 0.0 109.306 177.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -56.88 120.26 7.62 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.247 -1.342 . . . . 0.0 112.413 -176.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.654 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 79.6 mt -85.51 151.28 24.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.686 173.285 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 77.3 p -110.1 169.79 8.5 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 177.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.4 ' OE1' ' HD3' ' A' ' 74' ' ' ARG . 9.6 mm-40 -59.97 -30.39 69.08 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -177.257 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.557 ' O ' HG12 ' A' ' 57' ' ' ILE . 39.0 ttpt -58.43 -51.47 69.69 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 175.392 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -58.39 -46.7 85.85 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.152 0.501 . . . . 0.0 110.406 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.9 t -59.94 -38.17 75.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.521 -178.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -88.07 -10.94 48.6 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -177.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.557 HG12 ' O ' ' A' ' 53' ' ' LYS . 35.0 mm -89.99 -47.14 14.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 174.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.423 ' HA3' HG23 ' A' ' 6' ' ' ILE . . . -61.13 134.02 48.8 Favored Glycine 0 CA--C 1.519 0.312 0 CA-C-N 116.012 -0.54 . . . . 0.0 113.037 -179.143 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.55 ' HG3' ' HE ' ' A' ' 3' ' ' ARG . 6.4 mm-40 -73.8 -70.5 0.38 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.346 0.593 . . . . 0.0 110.54 -177.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.633 ' HA ' HG13 ' A' ' 79' ' ' VAL . 19.6 m -99.7 151.45 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.978 -174.624 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.542 HG22 HD11 ' A' ' 6' ' ' ILE . 32.4 t -110.4 116.31 52.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.622 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.9 mt -103.61 126.3 58.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.429 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.625 ' HB2' ' HG2' ' A' ' 82' ' ' GLU . 42.8 m-85 -112.77 102.86 10.87 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.821 0.343 . . . . 0.0 110.956 176.271 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.575 ' HB3' HG22 ' A' ' 9' ' ' THR . . . -100.76 91.63 4.71 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 172.153 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.628 HG12 ' HB3' ' A' ' 10' ' ' ALA . 23.9 m -128.25 154.8 39.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.882 0.848 . . . . 0.0 113.153 -168.118 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.658 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 0.9 OUTLIER -111.94 -24.29 10.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 113.963 -1.471 . . . . 0.0 108.848 173.9 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.6 t -128.22 -168.79 1.96 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.004 -0.998 . . . . 0.0 108.729 176.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -85.64 167.18 15.57 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.706 0.288 . . . . 0.0 110.32 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.438 ' CG2' ' HB2' ' A' ' 72' ' ' LYS . 15.5 m -123.99 157.04 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.32 178.505 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -94.6 -35.48 12.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.423 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.525 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 85.7 m-20 -76.58 -5.86 49.5 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 -171.567 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.484 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 41.3 ttmt -57.03 -24.88 56.94 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.288 0.566 . . . . 0.0 109.62 178.079 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -42.37 -51.62 4.84 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.788 -1.096 . . . . 0.0 112.095 174.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.525 ' HG2' ' O ' ' A' ' 71' ' ' ASN . 13.1 ptp180 -83.02 -26.9 30.77 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -177.257 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.573 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 29.0 m-85 -76.79 -8.61 57.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.513 0.197 . . . . 0.0 111.285 177.29 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.28 -40.86 95.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.867 -176.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -82.39 16.43 24.1 Favored Glycine 0 C--O 1.23 -0.152 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.156 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.573 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 26.1 mtpp -124.88 -173.67 2.85 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -178.376 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.633 HG13 ' HA ' ' A' ' 60' ' ' VAL . 3.9 p -90.64 127.46 43.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.816 0.341 . . . . 0.0 110.484 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.8 t -119.87 135.6 59.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.79 -171.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -133.53 117.02 16.64 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 173.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.625 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 45.9 mt-10 -107.43 138.7 43.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.1 0.476 . . . . 0.0 111.973 -176.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.523 ' HB ' ' HD2' ' A' ' 84' ' ' PRO . 17.3 m -141.86 165.46 27.83 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.49 175.481 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.766 ' HG2' ' HB2' ' A' ' 87' ' ' ALA . 28.3 Cg_endo -64.78 147.98 89.88 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 121.813 1.675 . . . . 0.0 111.024 172.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.418 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 14.5 p -60.4 -32.86 52.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.951 0.405 . . . . 0.0 111.729 -175.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.3 m -74.29 -18.74 60.67 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -178.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.766 ' HB2' ' HG2' ' A' ' 84' ' ' PRO . . . -62.67 -55.85 34.97 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -173.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.632 ' HD3' ' HB3' ' A' ' 87' ' ' ALA . 29.3 Cg_exo -63.22 -8.99 15.75 Favored 'Trans proline' 0 C--N 1.358 1.059 0 C-N-CA 122.649 2.233 . . . . 0.0 113.586 -174.474 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.468 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 61.6 mt -64.68 -42.43 95.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.068 0.461 . . . . 0.0 109.875 176.247 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -98.95 -50.81 4.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.554 175.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.652 ' HB3' ' HB3' ' A' ' 94' ' ' LYS . 2.8 m-20 -88.04 38.74 0.86 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.328 -173.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.443 ' HB1' ' HA3' ' A' ' 28' ' ' GLY . . . -53.1 -52.28 59.12 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -171.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.456 ' HA ' HD12 ' A' ' 96' ' ' ILE . 2.4 mp0 -77.54 -23.22 50.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.043 0.449 . . . . 0.0 110.463 -177.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.652 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 66.4 tttm -73.07 -39.42 65.88 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.76 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 91' ' ' ASP . 87.5 t -60.21 -38.95 79.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.302 175.434 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.456 HD12 ' HA ' ' A' ' 93' ' ' GLU . 76.1 mt -61.34 -49.18 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.318 175.464 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -61.27 -36.29 79.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.991 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.69 -41.44 95.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.59 79.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.802 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.94 -28.36 70.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.07 0.462 . . . . 0.0 110.92 177.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.56 -17.2 64.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.83 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -83.95 -9.05 58.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.597 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.436 HG23 HG21 ' A' ' 79' ' ' VAL . 24.5 pt -122.75 -33.21 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.761 178.546 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 CA--C 1.518 -0.265 0 CA-C-N 116.765 -0.198 . . . . 0.0 111.487 -178.637 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 34.6 mtmm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.854 0.359 . . . . 0.0 111.893 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.467 ' HE ' ' CD ' ' A' ' 59' ' ' GLU . 1.7 tpt180 -103.71 167.2 9.94 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.288 -0.414 . . . . 0.0 109.945 175.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.529 ' CB ' ' HA2' ' A' ' 58' ' ' GLY . 65.5 mmtt -99.72 111.14 23.49 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.604 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 57.1 mt -120.94 128.24 76.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.777 0.322 . . . . 0.0 111.273 -178.561 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.641 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -112.01 132.75 59.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 171.421 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.602 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -137.82 147.1 44.27 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.902 0.382 . . . . 0.0 111.392 -174.633 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.476 HG11 HG11 ' A' ' 69' ' ' VAL . 57.3 t -121.98 124.71 71.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.464 177.662 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.3 p -109.54 128.28 55.08 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.043 176.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.72 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . . . -151.11 149.58 29.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.151 -176.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.972 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 18.6 t -158.32 144.48 17.17 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 176.361 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.536 ' HB2' ' HB ' ' A' ' 67' ' ' THR . . . -102.59 -44.34 5.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.74 0.305 . . . . 0.0 111.217 -177.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.9 m -91.63 -61.81 1.56 Allowed 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.143 -178.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.58 68.11 3.53 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.835 -0.697 . . . . 0.0 111.899 178.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.469 HG12 ' HE2' ' A' ' 19' ' ' TYR . 45.2 t -50.26 -37.27 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -173.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.65 -24.74 66.92 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -177.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -66.88 -34.6 78.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.33 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.3 m -57.37 -48.09 79.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.231 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.469 ' HE2' HG12 ' A' ' 15' ' ' VAL . 69.0 m-85 -80.86 -21.07 41.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.017 -172.492 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.1 tpt -80.82 -48.71 12.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.709 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.77 -36.72 79.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.577 -176.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.88 -46.24 82.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.325 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.474 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 10.9 mm-40 -80.41 -32.55 37.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.354 -178.098 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.14 -43.61 97.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.963 0.411 . . . . 0.0 110.199 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.6 mt -60.34 -38.86 85.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.802 175.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.452 ' HE3' HG22 ' A' ' 38' ' ' VAL . 15.1 mttp -62.07 -49.17 77.02 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.937 177.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -59.57 -43.34 93.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.596 -178.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.64 -41.73 95.83 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.234 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.3 -42.91 96.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.888 0.375 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.426 ' HD3' ' O ' ' A' ' 26' ' ' LYS . 5.4 mptp? -69.95 -29.79 67.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.066 178.552 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -64.23 -43.47 94.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.056 0.455 . . . . 0.0 110.24 176.212 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.443 ' HB2' HD22 ' A' ' 34' ' ' ASN . 16.3 mmt -72.79 -34.88 67.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.705 177.262 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 2' ' ' LYS . . . 103.88 55.47 0.78 Allowed Glycine 0 C--O 1.225 -0.424 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.107 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.443 HD22 ' HB2' ' A' ' 32' ' ' MET . 38.2 m-80 -132.99 170.41 15.4 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.137 0.494 . . . . 0.0 111.454 -176.224 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.404 ' CD2' ' HB3' ' A' ' 2' ' ' LYS . 3.0 mm? -106.57 124.52 49.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.051 175.07 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 17.1 tt -128.53 136.59 59.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.345 0.593 . . . . 0.0 111.397 -175.004 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -116.04 106.03 13.3 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.876 175.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.602 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 16.9 m -102.07 143.49 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 CA-C-O 121.249 0.547 . . . . 0.0 111.439 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.63 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 36.1 tt0 -111.72 131.7 55.12 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.389 174.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.435 ' OG1' ' HB2' ' A' ' 47' ' ' GLU . 38.6 p -98.25 104.16 16.17 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 121.371 0.605 . . . . 0.0 110.329 177.627 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.72 ' HB3' ' HB2' ' A' ' 10' ' ' ALA . 7.3 tp-100 -89.92 85.13 6.28 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 176.42 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.14 58.1 4.61 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.051 -175.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 62.63 85.41 0.13 Allowed 'General case' 0 C--O 1.235 0.317 0 C-N-CA 122.936 0.494 . . . . 0.0 110.784 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.7 m 75.79 -36.15 0.28 Allowed 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.009 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.27 113.17 4.26 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.39 -176.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.576 HG12 HE22 ' A' ' 41' ' ' GLN . 16.4 mt -90.34 130.37 39.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -178.033 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.435 ' HB2' ' OG1' ' A' ' 40' ' ' THR . 50.0 mt-10 -102.69 -47.0 4.56 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.425 -0.51 . . . . 0.0 111.485 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.616 ' HB2' ' HA ' ' A' ' 39' ' ' GLU . 14.3 m120 -81.05 -61.02 2.08 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 121.084 -0.247 . . . . 0.0 111.001 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.61 ' H ' ' HG3' ' A' ' 39' ' ' GLU . 53.6 tt0 66.55 99.32 0.05 OUTLIER 'General case' 0 C--O 1.233 0.186 0 O-C-N 123.803 0.69 . . . . 0.0 110.585 -177.189 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.63 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 87.0 mt -82.86 132.19 35.17 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.46 177.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.459 ' O ' HG23 ' A' ' 55' ' ' VAL . 38.1 p -91.55 157.78 16.82 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.933 -173.414 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -49.42 -45.14 45.96 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.984 0.421 . . . . 0.0 110.458 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.418 ' O ' HG12 ' A' ' 57' ' ' ILE . 89.0 tttt -64.24 -45.03 89.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.019 -178.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -69.97 -39.32 76.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.581 -176.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.699 HG21 ' HG3' ' A' ' 74' ' ' ARG . 81.8 t -64.3 -37.56 80.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.956 177.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -68.84 -21.54 64.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.286 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 53' ' ' LYS . 48.9 mm -70.78 -45.48 73.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 175.162 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.529 ' HA2' ' CB ' ' A' ' 4' ' ' LYS . . . -65.71 154.26 50.92 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.333 177.535 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.467 ' CD ' ' HE ' ' A' ' 3' ' ' ARG . 33.7 mt-10 -108.75 -53.62 2.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.636 0.255 . . . . 0.0 110.975 -177.376 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.464 ' HA ' HG13 ' A' ' 79' ' ' VAL . 22.8 m -102.57 141.08 19.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.813 0.339 . . . . 0.0 110.659 178.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.541 HG22 HD11 ' A' ' 6' ' ' ILE . 21.6 t -110.82 128.79 66.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.7 -177.61 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.435 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 65.8 mt -110.8 127.62 67.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.132 177.437 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -119.57 112.19 19.02 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.949 0.404 . . . . 0.0 110.959 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.65 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -113.69 90.84 3.45 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 171.669 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.542 HG12 ' HB3' ' A' ' 10' ' ' ALA . 24.1 m -131.66 138.69 52.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.672 0.748 . . . . 0.0 112.622 -168.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.972 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 16.0 t70 -114.27 -1.87 13.48 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.416 -1.266 . . . . 0.0 109.212 173.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.536 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 11.3 t -143.9 174.24 11.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.52 -178.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.433 ' HE2' ' HB3' ' A' ' 68' ' ' LYS . 35.4 ttpt -70.97 141.25 51.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.325 -177.548 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.609 ' HB ' ' HB2' ' A' ' 72' ' ' LYS . 46.2 t -114.86 126.18 72.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.021 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -82.16 -35.51 28.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.785 -175.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.449 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 11.5 m120 -82.16 -7.22 59.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.709 0.29 . . . . 0.0 111.069 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.609 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 44.1 tttm -50.2 -28.26 7.24 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.144 -178.44 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -51.33 -34.93 35.77 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -175.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.699 ' HG3' HG21 ' A' ' 55' ' ' VAL . 12.7 ptp180 -83.55 -7.19 59.57 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -174.165 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.493 ' HD2' ' HA ' ' A' ' 72' ' ' LYS . 33.3 m-85 -96.53 -1.36 47.29 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.188 0.518 . . . . 0.0 109.788 174.294 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.0 140.19 35.33 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.946 179.465 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.96 23.3 45.96 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -171.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.65 ' HE3' ' O ' ' A' ' 74' ' ' ARG . 5.8 mtmm -139.03 -158.37 0.85 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.886 -0.657 . . . . 0.0 109.662 -179.61 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.464 HG13 ' HA ' ' A' ' 60' ' ' VAL . 4.8 p -110.19 107.24 22.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.35 0.595 . . . . 0.0 110.737 -177.105 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.5 t -107.3 115.17 48.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.578 -175.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.636 HD23 HD11 ' A' ' 102' ' ' LEU . 3.2 tm? -98.87 102.04 13.64 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 172.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -104.9 123.62 48.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.425 -171.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.0 m -134.66 163.76 48.87 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.049 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -59.06 143.79 99.64 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.255 1.97 . . . . 0.0 111.329 173.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.65 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 14.3 p -64.85 -23.53 33.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.992 0.425 . . . . 0.0 111.768 -175.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.8 m -73.96 -20.04 60.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.457 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.419 ' N ' ' HD2' ' A' ' 88' ' ' PRO . . . -70.17 -54.52 9.32 Favored Pre-proline 0 CA--C 1.538 0.499 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -174.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.436 ' HG3' ' CB ' ' A' ' 64' ' ' ALA . 57.4 Cg_endo -69.01 3.68 2.28 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 122.58 2.187 . . . . 0.0 113.75 -175.16 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 52.2 mt -81.32 -38.96 16.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.371 0.605 . . . . 0.0 109.385 174.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -97.2 -52.09 3.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.119 176.002 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.574 ' O ' HG23 ' A' ' 95' ' ' VAL . 7.2 m-20 -93.46 37.37 1.05 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.105 -173.438 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.73 -53.29 54.21 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -172.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -68.69 -29.33 67.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.583 0.706 . . . . 0.0 110.357 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.481 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 64.0 tttt -72.88 -35.87 67.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.271 -177.142 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 91' ' ' ASP . 95.7 t -65.73 -41.81 91.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.463 175.612 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.459 ' O ' HD23 ' A' ' 100' ' ' LEU . 80.3 mt -62.79 -48.64 87.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.578 177.256 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -62.82 -26.56 68.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 178.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.15 -37.99 89.16 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.705 0.288 . . . . 0.0 110.649 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.09 84.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.266 0.555 . . . . 0.0 109.913 176.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.459 HD23 ' O ' ' A' ' 96' ' ' ILE . 4.3 mm? -66.33 -30.68 71.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.854 177.198 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.2 -17.56 64.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.315 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.636 HD11 HD23 ' A' ' 81' ' ' LEU . 90.0 mt -79.58 -36.59 37.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.984 179.331 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.412 HG13 ' N ' ' A' ' 104' ' ' ASP . 25.5 pt -96.9 -46.91 12.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -175.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.412 ' N ' HG13 ' A' ' 103' ' ' ILE . 46.8 m-20 . . . . . 0 C--N 1.326 -0.438 0 CA-C-O 120.677 0.275 . . . . 0.0 111.273 -177.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.9 tpp180 -65.66 125.45 25.3 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.795 ' HE2' HD12 ' A' ' 35' ' ' LEU . 34.0 mmtp -89.36 117.8 28.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.299 -179.097 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.57 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 56.2 mt -128.9 135.52 61.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 120.889 0.376 . . . . 0.0 110.871 -178.29 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.786 HD11 HG22 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -114.78 138.02 46.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 171.47 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.442 ' HA ' ' O ' ' A' ' 62' ' ' ILE . . . -132.89 133.26 43.04 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.095 -174.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.2 t -109.82 130.71 62.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' A' ' 64' ' ' ALA . 14.8 p -114.2 130.03 56.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.042 -179.194 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.519 ' HB3' HG12 ' A' ' 65' ' ' VAL . . . -147.2 158.02 43.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.577 -179.175 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.639 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 49.0 t -176.22 -34.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.94 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 70.15 -69.16 0.18 Allowed 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.835 0.71 . . . . 0.0 111.667 177.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.8 m -70.5 -48.36 56.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.861 0.362 . . . . 0.0 110.716 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.4 73.92 2.58 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.728 -0.748 . . . . 0.0 111.685 177.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.1 t -59.6 -49.39 83.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 122.404 0.281 . . . . 0.0 111.464 -176.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.77 -36.0 82.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.139 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -64.14 -34.15 77.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.523 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 29.2 m -64.09 -48.84 74.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.614 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -67.07 -38.87 86.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.614 178.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 50.4 tpp -58.86 -53.55 57.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.921 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.09 91.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.049 -178.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.67 -49.03 79.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.257 0.551 . . . . 0.0 110.94 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -72.38 -30.14 64.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.319 -178.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.94 -40.93 62.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.625 0.25 . . . . 0.0 110.867 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.498 HD21 ' HB3' ' A' ' 88' ' ' PRO . 60.6 mt -60.4 -47.09 87.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.769 175.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.624 ' HA ' HG21 ' A' ' 36' ' ' ILE . 40.7 ttmt -61.97 -42.86 99.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.183 177.384 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -55.68 -50.34 70.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.0 177.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.82 -35.95 73.7 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.005 -0.617 . . . . 0.0 112.678 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.6 -48.45 77.32 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.589 0.233 . . . . 0.0 111.155 -178.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -69.83 -25.81 63.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.756 0.313 . . . . 0.0 110.513 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -68.45 -45.37 72.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.13 176.096 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 91.4 mmm -75.96 -18.45 59.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.437 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.25 41.87 4.15 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.712 177.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -123.23 179.18 4.79 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.795 HD12 ' HE2' ' A' ' 4' ' ' LYS . 94.5 mt -121.04 125.02 46.25 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 179.649 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.624 HG21 ' HA ' ' A' ' 26' ' ' LYS . 14.3 tt -129.89 138.36 54.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.193 0.52 . . . . 0.0 111.89 -174.538 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' HB2' HG22 ' A' ' 6' ' ' ILE . 14.0 mmmm -116.53 108.57 16.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.224 172.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.0 p -100.97 137.63 27.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.293 0.568 . . . . 0.0 111.82 -174.122 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.794 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 39.1 tt0 -111.53 142.87 43.26 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.173 176.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.648 ' HB ' ' HB2' ' A' ' 47' ' ' GLU . 34.4 m -111.67 109.95 20.08 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 177.468 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.798 HE21 HG23 ' A' ' 46' ' ' ILE . 16.9 tt0 -134.85 102.09 5.13 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -174.625 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.74 -50.75 62.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.619 -0.801 . . . . 0.0 111.877 -177.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 179.38 -46.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 177.004 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.1 m -117.73 -24.91 7.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.281 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.46 137.76 14.28 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.798 HG23 HE21 ' A' ' 41' ' ' GLN . 5.2 mm -119.89 116.18 49.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 -174.375 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.648 ' HB2' ' HB ' ' A' ' 40' ' ' THR . 28.1 mt-10 -113.82 137.41 51.69 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 177.293 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 58.9 t30 72.93 -57.62 0.63 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.989 0.916 . . . . 0.0 110.204 -173.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 64.07 103.13 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.281 0.632 . . . . 0.0 111.538 176.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.794 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 83.0 mt -81.42 110.02 16.45 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.523 -179.078 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 55' ' ' VAL . 33.4 p -73.17 166.17 23.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.526 177.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -51.56 -32.4 28.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.687 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.592 ' O ' HG12 ' A' ' 57' ' ' ILE . 1.3 tmmt? -60.95 -57.72 11.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.196 178.579 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -66.25 -34.91 79.08 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.111 0.482 . . . . 0.0 110.923 -176.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.536 HG11 ' HG3' ' A' ' 74' ' ' ARG . 73.2 t -61.04 -37.44 77.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.248 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -93.41 7.25 45.23 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.926 0.394 . . . . 0.0 111.415 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.592 HG12 ' O ' ' A' ' 53' ' ' LYS . 36.7 mm -82.71 -49.71 16.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 169.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.531 ' HA2' ' HB3' ' A' ' 4' ' ' LYS . . . -68.59 144.07 41.54 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.965 177.444 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 8.6 pt-20 -99.61 -29.99 12.38 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.662 0.267 . . . . 0.0 110.775 -176.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.594 HG21 ' HB1' ' A' ' 99' ' ' ALA . 8.7 p -125.11 144.57 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 174.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.786 HG22 HD11 ' A' ' 6' ' ' ILE . 11.0 t -112.33 132.05 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.906 0.384 . . . . 0.0 111.062 -176.069 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.442 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 65.3 mt -112.93 127.95 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.052 176.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.443 ' CD1' HG13 ' A' ' 80' ' ' VAL . 58.7 m-85 -111.77 104.47 12.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.758 177.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.437 ' O ' ' HA ' ' A' ' 9' ' ' THR . . . -96.75 89.92 5.1 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 170.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.519 HG12 ' HB3' ' A' ' 10' ' ' ALA . 27.7 m -136.22 149.77 27.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.336 0.588 . . . . 0.0 111.679 -170.119 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.639 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 13.3 t70 -116.51 5.3 13.35 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.875 0.845 . . . . 0.0 108.756 173.596 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.8 t -155.91 -171.66 3.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.845 -1.071 . . . . 0.0 109.208 -178.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -86.63 167.74 14.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.922 0.391 . . . . 0.0 110.607 -178.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.544 ' CG2' ' HB2' ' A' ' 72' ' ' LYS . 23.2 m -136.87 170.54 18.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.915 176.53 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -94.28 -49.18 5.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.323 0.582 . . . . 0.0 110.912 -175.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.618 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 11.0 m120 -74.32 -5.66 43.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.276 -171.553 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.544 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 26.8 ttpp -45.76 -32.05 2.32 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -58.95 -26.09 64.11 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -173.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.618 ' HG2' ' O ' ' A' ' 71' ' ' ASN . 10.9 ptp180 -89.13 -16.07 32.33 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 122.008 -0.432 . . . . 0.0 111.484 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.641 ' HB3' HG11 ' A' ' 61' ' ' VAL . 51.5 m-85 -96.03 -18.78 19.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.202 0.525 . . . . 0.0 110.313 179.054 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.63 -47.64 83.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.935 -1.03 . . . . 0.0 112.713 -170.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -84.06 29.07 3.93 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.754 -0.736 . . . . 0.0 113.071 -175.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.484 ' HE3' HG12 ' A' ' 55' ' ' VAL . 60.4 mttm -121.97 -105.65 0.37 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.067 0.461 . . . . 0.0 109.87 177.674 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.592 HG21 HG21 ' A' ' 103' ' ' ILE . 38.5 t -138.72 115.24 10.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.443 HG13 ' CD1' ' A' ' 63' ' ' PHE . 57.7 t -109.99 104.74 17.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.082 0.467 . . . . 0.0 111.689 -173.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.458 HD23 HD11 ' A' ' 102' ' ' LEU . 2.5 tm? -100.12 101.12 12.09 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 172.08 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -104.24 124.12 48.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.152 -174.063 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.3 m -140.44 158.42 66.26 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.05 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.41 ' O ' ' HD3' ' A' ' 88' ' ' PRO . 32.4 Cg_exo -59.01 144.41 99.38 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.34 2.027 . . . . 0.0 111.344 175.343 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.42 HG11 ' HB2' ' A' ' 11' ' ' CYS . 8.7 p -63.71 -20.38 26.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-O 121.074 0.464 . . . . 0.0 111.555 -175.34 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.1 p -73.93 -27.78 61.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.186 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.533 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -68.03 -52.64 22.82 Favored Pre-proline 0 CA--C 1.539 0.53 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -172.513 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.533 ' HD3' ' HB3' ' A' ' 87' ' ' ALA . 16.6 Cg_exo -68.75 1.23 3.96 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 122.54 2.16 . . . . 0.0 113.459 -175.475 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 52.0 mt -70.02 -48.74 61.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.047 0.451 . . . . 0.0 110.08 177.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -96.35 -49.2 5.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.092 175.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.44 ' O ' HG23 ' A' ' 95' ' ' VAL . 73.2 m-20 -103.37 40.64 1.37 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.872 -169.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 88' ' ' PRO . . . -53.81 -37.18 63.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.064 0.459 . . . . 0.0 110.382 175.202 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -56.13 -45.69 79.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.704 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -73.1 -32.22 64.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.768 -178.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 91' ' ' ASP . 60.1 t -70.01 -41.36 79.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.05 0.452 . . . . 0.0 110.605 178.141 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.82 -48.43 88.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.328 178.316 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -71.19 -21.04 62.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.324 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.02 -40.26 82.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.839 0.352 . . . . 0.0 110.34 177.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.594 ' HB1' HG21 ' A' ' 60' ' ' VAL . . . -67.22 -44.62 79.05 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.317 178.045 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.68 -35.46 79.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.474 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.74 -17.53 63.12 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -178.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.458 HD11 HD23 ' A' ' 81' ' ' LEU . 71.0 mt -81.38 -44.37 17.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.931 0.395 . . . . 0.0 111.121 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.592 HG21 HG21 ' A' ' 79' ' ' VAL . 30.7 pt -101.95 -36.92 4.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -173.336 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.9 t70 . . . . . 0 C--N 1.322 -0.621 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -176.042 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 2' ' ' LYS . 37.5 mmtm . . . . . 0 C--O 1.235 0.301 0 CA-C-O 121.25 0.547 . . . . 0.0 109.776 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.755 ' HG3' ' HG3' ' A' ' 59' ' ' GLU . 3.5 tpt180 -75.13 129.84 38.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.949 -176.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.446 ' HE3' HD12 ' A' ' 35' ' ' LEU . 38.5 mmtm -77.65 125.3 29.13 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 176.568 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 66.0 mt -131.4 133.38 62.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 120.73 0.3 . . . . 0.0 110.74 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.58 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -112.53 129.2 68.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 172.232 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.416 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -134.97 139.98 45.33 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -175.623 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.8 t -118.33 129.02 75.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.12 178.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.523 ' HA ' ' O ' ' A' ' 64' ' ' ALA . 11.0 p -116.47 118.56 33.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.7 178.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.552 ' HA ' ' O ' ' A' ' 41' ' ' GLN . . . -133.64 123.47 25.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.765 0.317 . . . . 0.0 111.684 -177.122 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.554 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 52.7 t -131.04 -9.79 3.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.619 175.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.429 ' HB3' HG21 ' A' ' 67' ' ' THR . . . 56.28 -89.23 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.384 0.674 . . . . 0.0 112.25 179.234 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.0 p -89.04 95.22 10.23 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.033 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 140.91 69.12 0.03 OUTLIER Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -176.185 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.5 m -58.29 -30.12 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 122.285 0.234 . . . . 0.0 111.599 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.92 -35.48 78.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.014 0.435 . . . . 0.0 110.894 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -84.28 -31.19 25.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.821 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.554 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 24.4 m -70.91 -57.09 4.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.208 -177.525 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -67.5 -39.48 85.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.539 -176.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 37.7 ttp -64.96 -43.55 92.33 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.08 -178.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.39 96.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.918 0.39 . . . . 0.0 110.714 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.493 ' O ' ' HG3' ' A' ' 26' ' ' LYS . . . -62.99 -43.14 99.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.478 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.594 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 4.7 pt20 -80.76 -31.31 35.93 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.299 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.34 -39.53 92.5 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 120.975 0.417 . . . . 0.0 110.24 178.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.544 ' HG ' ' HB2' ' A' ' 88' ' ' PRO . 3.0 mt -57.51 -43.6 84.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.617 172.711 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.493 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 63.4 mttp -60.55 -40.53 91.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.487 178.383 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.594 ' HG2' ' O ' ' A' ' 23' ' ' GLN . 75.7 mmtt -55.7 -55.8 27.95 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.811 179.004 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.79 -37.22 94.49 Favored Glycine 0 CA--C 1.519 0.301 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.704 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.2 -49.68 68.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.627 0.251 . . . . 0.0 111.362 -178.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 16.7 ptpt -69.57 -26.16 64.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.804 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.43 -43.02 95.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.198 0.523 . . . . 0.0 110.24 177.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 86.4 mtp -82.14 -14.22 56.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.263 177.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.8 35.97 12.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.137 -0.554 . . . . 0.0 113.144 174.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -104.51 172.79 6.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.701 0.286 . . . . 0.0 110.766 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.446 HD12 ' HE3' ' A' ' 4' ' ' LYS . 97.3 mt -112.09 110.75 21.21 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.436 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 15.1 tt -121.7 145.15 28.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.341 0.591 . . . . 0.0 111.968 -172.216 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -115.95 112.32 21.68 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.167 170.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.423 HG11 ' HA ' ' A' ' 22' ' ' ALA . 40.0 t -101.92 124.19 55.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.392 -177.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -95.71 123.66 39.38 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.606 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.802 ' HB ' ' HB3' ' A' ' 47' ' ' GLU . 18.0 m -86.78 107.12 18.13 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.589 ' OE1' HG12 ' A' ' 46' ' ' ILE . 54.2 tp60 -113.99 130.61 56.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.429 -176.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.12 -93.51 1.02 Allowed Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 172.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -125.03 -58.16 1.48 Allowed 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 173.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.3 m -126.9 6.25 6.62 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.743 0.782 . . . . 0.0 109.562 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.38 133.95 11.42 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.373 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.589 HG12 ' OE1' ' A' ' 41' ' ' GLN . 5.6 mt -116.61 141.66 33.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 -174.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.802 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 32.1 tt0 -92.17 -42.28 9.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.137 0.494 . . . . 0.0 110.746 177.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -98.9 -57.81 2.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.387 -173.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.84 86.54 0.13 Allowed 'General case' 0 C--O 1.235 0.324 0 O-C-N 124.083 0.864 . . . . 0.0 109.692 -176.695 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.41 ' O ' ' HD2' ' A' ' 74' ' ' ARG . 6.3 mp -78.06 123.49 26.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.823 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.592 ' O ' HG23 ' A' ' 55' ' ' VAL . 67.6 p -88.49 163.57 15.86 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -173.438 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -55.23 -27.63 47.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.145 0.498 . . . . 0.0 109.833 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.521 ' O ' HG13 ' A' ' 57' ' ' ILE . 33.1 mmtp -61.44 -54.06 48.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.969 176.174 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -66.46 -43.47 85.43 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.562 0.696 . . . . 0.0 110.2 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 51' ' ' THR . 98.7 t -63.41 -32.25 55.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.518 -175.587 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -78.89 -15.72 57.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.55 0.214 . . . . 0.0 111.35 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' ' 53' ' ' LYS . 81.5 mt -77.59 -46.12 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.758 0.313 . . . . 0.0 110.193 178.173 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.43 ' HA3' HD12 ' A' ' 6' ' ' ILE . . . -59.35 144.71 45.29 Favored Glycine 0 CA--C 1.519 0.34 0 CA-C-N 115.971 -0.558 . . . . 0.0 113.329 179.22 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.755 ' HG3' ' HG3' ' A' ' 3' ' ' ARG . 4.1 mm-40 -78.57 -54.79 5.76 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.182 0.515 . . . . 0.0 110.087 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.45 ' HA ' HG13 ' A' ' 79' ' ' VAL . 20.7 m -123.69 155.0 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.262 -179.514 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.486 HG22 HD11 ' A' ' 6' ' ' ILE . 25.0 t -110.43 122.34 64.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.861 0.362 . . . . 0.0 110.542 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.416 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 69.4 mt -104.54 110.68 31.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.976 177.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.462 ' HE2' HG11 ' A' ' 69' ' ' VAL . 0.8 OUTLIER -103.16 96.52 6.84 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.825 -179.396 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.597 ' HA ' ' O ' ' A' ' 83' ' ' VAL . . . -96.49 89.7 5.12 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 173.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.96 139.12 41.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.005 -172.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.65 -4.51 10.27 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.135 175.364 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.447 ' HB ' ' H ' ' A' ' 68' ' ' LYS . 30.9 p -131.29 -160.74 1.07 Allowed 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.625 -177.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.447 ' H ' ' HB ' ' A' ' 67' ' ' THR . 51.8 tttp -75.62 143.71 42.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.785 -176.588 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.462 HG11 ' HE2' ' A' ' 63' ' ' PHE . 2.7 p -142.84 119.7 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.011 176.463 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -89.71 -25.24 21.29 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.741 -174.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -80.98 -6.51 58.85 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.054 -175.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -55.52 -23.75 28.06 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.477 0.656 . . . . 0.0 109.51 177.104 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.565 ' HB3' HH21 ' A' ' 74' ' ' ARG . 10.4 tp10 -41.13 -39.12 1.2 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 114.2 -1.364 . . . . 0.0 111.664 171.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.565 HH21 ' HB3' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -69.75 -55.31 10.23 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.019 0.438 . . . . 0.0 111.315 -179.031 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -79.94 3.58 19.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.914 -170.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -60.51 -39.54 88.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.911 0.386 . . . . 0.0 111.308 -170.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -95.48 14.74 64.51 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.627 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -110.36 -179.92 3.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.623 -0.339 . . . . 0.0 110.657 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.45 HG13 ' HA ' ' A' ' 60' ' ' VAL . 3.4 p -83.89 100.81 7.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.58 0.705 . . . . 0.0 110.35 -177.097 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 84.3 t -112.51 128.28 69.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.799 -173.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.8 tp -102.52 117.76 35.4 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 168.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -96.92 102.11 13.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.53 0.681 . . . . 0.0 110.36 -177.02 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.597 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -111.92 145.19 32.21 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.484 -177.157 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -57.11 143.63 92.49 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.749 2.3 . . . . 0.0 111.79 175.189 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 8.3 p -62.03 -22.01 27.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.635 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -171.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.2 m -74.68 -28.73 60.95 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.465 ' N ' ' HD2' ' A' ' 88' ' ' PRO . . . -60.58 -51.61 78.62 Favored Pre-proline 0 CA--C 1.542 0.64 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -170.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.544 ' HB2' ' HG ' ' A' ' 25' ' ' LEU . 37.1 Cg_endo -64.14 -5.86 10.29 Favored 'Trans proline' 0 C--N 1.356 0.957 0 C-N-CA 122.402 2.068 . . . . 0.0 113.76 -174.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 59.0 mt -82.33 -37.93 14.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.803 0.335 . . . . 0.0 110.409 179.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -96.07 -38.62 10.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.935 0.398 . . . . 0.0 111.417 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.802 ' HB3' ' HB3' ' A' ' 94' ' ' LYS . 30.4 m-20 -123.07 43.01 3.05 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.746 -170.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.733 ' O ' HG12 ' A' ' 95' ' ' VAL . . . -54.19 -47.12 72.43 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.415 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -64.83 -33.01 74.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.392 0.615 . . . . 0.0 110.183 178.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.802 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 38.0 ttmt -74.43 -39.1 62.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.207 -176.681 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.733 HG12 ' O ' ' A' ' 92' ' ' ALA . 3.6 p -66.07 -35.74 75.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.082 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.489 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 72.1 mt -62.5 -49.18 84.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.107 -0.952 . . . . 0.0 110.25 174.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -63.06 -34.57 77.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.065 178.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.44 96.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.821 178.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.88 -33.22 75.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.04 0.447 . . . . 0.0 110.563 177.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 92.9 mt -66.04 -29.12 69.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.967 177.584 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.22 -22.9 66.32 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -178.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 102' ' ' LEU . 4.3 mm? -66.54 -39.34 88.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.685 -178.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 104' ' ' ASP . 28.2 pt -115.93 -45.51 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -177.039 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.421 ' N ' HG13 ' A' ' 103' ' ' ILE . 2.0 m-20 . . . . . 0 C--N 1.325 -0.485 0 CA-C-O 120.824 0.345 . . . . 0.0 110.295 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.4 mttt . . . . . 0 C--O 1.234 0.288 0 CA-C-O 120.962 0.41 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 -77.68 122.7 25.7 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 176.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.903 ' HD2' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -85.43 116.23 23.62 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.656 179.062 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.625 HG23 HG23 ' A' ' 60' ' ' VAL . 42.9 mt -126.26 132.83 70.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.141 -171.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.705 HG13 ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -106.6 125.29 62.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 171.562 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -131.21 127.84 38.73 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.812 -175.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.3 t -110.72 122.07 64.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.151 0.5 . . . . 0.0 110.588 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.4 p -104.89 121.13 43.05 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.514 175.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.426 ' HB3' HG12 ' A' ' 65' ' ' VAL . . . -153.54 99.64 2.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.551 0.215 . . . . 0.0 111.124 -177.049 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.722 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 48.7 t -116.69 143.07 46.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.679 0.276 . . . . 0.0 110.7 -178.655 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.452 ' HB2' ' HB ' ' A' ' 67' ' ' THR . . . -102.25 -14.19 17.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.175 0.512 . . . . 0.0 110.205 177.406 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.2 m -68.28 -58.79 3.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.299 178.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.76 125.22 2.78 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.899 -178.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.3 t -65.19 -42.09 93.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.857 0.361 . . . . 0.0 111.2 -177.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.75 -31.43 72.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.067 0.46 . . . . 0.0 110.924 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.6 m170 -69.78 -40.84 75.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.882 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.666 HG22 HG23 ' A' ' 40' ' ' THR . 25.7 m -56.48 -49.74 73.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.894 177.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.43 ' O ' ' HG3' ' A' ' 23' ' ' GLN . 38.7 t80 -73.77 -42.22 61.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.468 -173.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.559 ' HE2' HD13 ' A' ' 89' ' ' ILE . 40.8 ttp -66.36 -29.32 69.47 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 121.191 -0.203 . . . . 0.0 111.088 -177.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.546 ' HA ' HG12 ' A' ' 89' ' ' ILE . . . -60.57 -44.35 96.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.729 0.299 . . . . 0.0 110.347 177.089 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.6 -39.35 93.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.994 179.051 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 19' ' ' TYR . 47.2 mt-30 -65.66 -48.82 70.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.134 -178.214 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.11 -40.06 82.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.969 0.414 . . . . 0.0 110.684 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.464 ' HA ' ' HB1' ' A' ' 92' ' ' ALA . 45.6 tp -61.1 -43.04 99.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.452 177.31 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -59.65 -45.33 92.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.265 176.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -56.39 -44.86 80.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.747 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.95 -40.72 95.46 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.669 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.79 -41.17 79.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.797 0.332 . . . . 0.0 110.852 -178.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -63.62 -38.99 93.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.312 176.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -63.66 -31.01 72.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.272 -0.877 . . . . 0.0 111.052 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 22.9 mmt -90.7 -17.76 26.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.989 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.54 34.46 11.8 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.1 -0.572 . . . . 0.0 112.942 177.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -98.71 -178.19 3.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.945 0.402 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.493 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 90.7 mt -117.31 97.57 5.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.549 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.7 tt -109.73 139.47 32.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.217 0.532 . . . . 0.0 111.224 -175.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.606 ' HG3' HD22 ' A' ' 50' ' ' LEU . 21.8 tptm -122.55 100.81 7.12 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 173.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.9 p -101.34 143.52 14.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.661 -173.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.801 ' HG3' ' H ' ' A' ' 49' ' ' GLU . 30.2 tt0 -120.4 126.77 51.29 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.654 177.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.666 HG23 HG22 ' A' ' 18' ' ' THR . 90.9 m -99.92 114.62 27.98 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 171.626 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.621 ' HG3' HG12 ' A' ' 46' ' ' ILE . 8.4 tt0 -117.87 98.74 6.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.276 0.56 . . . . 0.0 110.225 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.73 60.5 4.66 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.707 -0.758 . . . . 0.0 111.889 -178.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 59.54 88.65 0.07 Allowed 'General case' 0 C--O 1.234 0.242 0 C-N-CA 122.978 0.511 . . . . 0.0 110.796 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.3 m 77.06 -39.78 0.34 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.69 -178.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -77.88 96.95 1.34 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.603 178.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.621 HG12 ' HG3' ' A' ' 41' ' ' GLN . 39.5 mt -95.09 127.03 47.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 120.706 0.288 . . . . 0.0 110.714 -176.738 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -82.5 -42.71 18.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.427 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.467 ' HB2' ' HA ' ' A' ' 39' ' ' GLU . 8.9 m120 -108.95 -60.58 1.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.062 -172.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.801 ' H ' ' HG3' ' A' ' 39' ' ' GLU . 34.4 tt0 76.05 111.46 0.07 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.991 0.917 . . . . 0.0 111.22 -177.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.617 HD13 ' HB ' ' A' ' 6' ' ' ILE . 38.7 mt -86.2 116.47 24.41 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.867 176.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.52 ' O ' HG23 ' A' ' 55' ' ' VAL . 72.9 p -81.41 166.6 20.25 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 -179.196 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -55.02 -33.62 62.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.34 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.445 ' O ' HG12 ' A' ' 57' ' ' ILE . 88.6 mttt -66.47 -43.96 84.03 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.673 178.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -58.12 -43.42 87.19 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.391 0.615 . . . . 0.0 109.787 176.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.563 HG11 ' HG3' ' A' ' 74' ' ' ARG . 70.1 t -64.74 -37.03 79.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.597 -1.183 . . . . 0.0 112.117 -177.025 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -80.49 -19.02 46.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.348 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 53' ' ' LYS . 44.3 mm -84.6 -57.42 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.561 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.547 ' HA3' HG23 ' A' ' 6' ' ' ILE . . . -57.99 128.92 48.72 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.449 176.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.449 ' HG3' ' HG2' ' A' ' 4' ' ' LYS . 43.4 mt-10 -85.81 -60.02 2.14 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.843 0.354 . . . . 0.0 110.674 -175.57 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.65 ' HA ' HG13 ' A' ' 79' ' ' VAL . 20.2 m -93.96 141.08 15.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.615 -177.121 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.648 HG22 HD11 ' A' ' 6' ' ' ILE . 17.9 t -109.56 113.65 44.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.335 -177.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 63.7 mt -93.7 113.29 28.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.989 0.423 . . . . 0.0 110.014 177.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.431 ' HD1' ' HA ' ' A' ' 63' ' ' PHE . 2.1 m-85 -105.53 102.53 11.98 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.126 0.489 . . . . 0.0 111.038 179.03 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.651 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -108.26 90.03 3.17 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 171.345 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.426 HG12 ' HB3' ' A' ' 10' ' ' ALA . 18.2 m -137.7 161.59 33.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.712 0.768 . . . . 0.0 112.349 -169.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.722 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 17.7 t70 -137.24 -2.69 2.01 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.131 -1.395 . . . . 0.0 108.978 178.209 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.452 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 5.9 t -141.82 -171.51 3.36 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.85 -176.555 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm -72.84 156.66 38.66 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.204 0.526 . . . . 0.0 111.549 -177.063 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.81 ' HB ' ' HB2' ' A' ' 72' ' ' LYS . 56.1 t -129.07 121.33 53.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.361 173.675 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -74.79 -34.88 62.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.691 0.282 . . . . 0.0 111.43 -176.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.57 HD21 ' HG3' ' A' ' 49' ' ' GLU . 87.0 m-20 -82.39 -7.14 59.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.463 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.81 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 38.5 ttpt -55.34 -29.36 58.18 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 122.772 0.429 . . . . 0.0 111.977 -175.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -51.23 -33.61 28.68 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -175.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.563 ' HG3' HG11 ' A' ' 55' ' ' VAL . 7.5 ptp180 -87.17 -15.77 37.34 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -174.135 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.705 ' CE1' HG13 ' A' ' 6' ' ' ILE . 40.5 m-85 -88.91 3.7 50.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.849 0.357 . . . . 0.0 110.258 176.072 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -56.31 -51.88 66.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.457 -176.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -96.82 36.52 3.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.64 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -129.17 173.62 10.31 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.65 HG13 ' HA ' ' A' ' 60' ' ' VAL . 4.2 p -82.08 119.48 31.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.283 0.563 . . . . 0.0 110.979 -176.492 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.8 t -113.61 135.04 54.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.858 -173.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -111.4 115.34 29.1 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 173.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -96.13 120.4 36.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 -173.445 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.566 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 5.2 m -141.75 154.72 66.22 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.29 174.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.85 151.56 74.03 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.222 1.948 . . . . 0.0 110.737 173.199 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.651 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 9.1 p -62.7 -23.4 32.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.124 0.488 . . . . 0.0 110.958 -177.518 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.0 m -74.02 -19.44 60.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.75 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.597 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -71.63 -55.63 5.56 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -174.315 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.597 ' HD3' ' HB3' ' A' ' 87' ' ' ALA . 30.6 Cg_exo -62.89 -14.56 41.76 Favored 'Trans proline' 0 C--N 1.359 1.082 0 C-N-CA 122.491 2.127 . . . . 0.0 113.469 -174.669 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.559 HD13 ' HE2' ' A' ' 20' ' ' MET . 50.9 mt -73.6 -44.67 52.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.094 0.473 . . . . 0.0 110.57 179.06 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -96.47 -31.11 12.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.602 -178.021 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.58 ' HB3' ' HB2' ' A' ' 94' ' ' LYS . 20.6 m-20 -124.79 42.23 3.32 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -173.426 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.464 ' HB1' ' HA ' ' A' ' 25' ' ' LEU . . . -52.55 -52.04 56.82 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -178.057 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -61.72 -27.28 68.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.707 0.289 . . . . 0.0 111.367 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.58 ' HB2' ' HB3' ' A' ' 91' ' ' ASP . 30.4 mmtp -73.03 -46.86 49.55 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.547 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 91' ' ' ASP . 65.2 t -60.65 -40.12 83.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.073 -179.477 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 90.8 mt -61.52 -48.92 86.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.679 178.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -65.98 -28.96 69.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.38 -40.53 97.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.973 0.416 . . . . 0.0 110.68 178.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.75 -41.75 98.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.13 0.491 . . . . 0.0 110.316 177.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.75 -30.54 70.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.863 176.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.67 -21.56 61.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.275 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -82.04 -23.75 35.72 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.38 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 28.5 pt -101.77 -40.04 7.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -177.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 . . . . . 0 C--N 1.328 -0.326 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.805 -177.19 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp . . . . . 0 C--O 1.234 0.246 0 CA-C-O 121.086 0.469 . . . . 0.0 109.766 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 1.017 ' HD2' ' HG3' ' A' ' 59' ' ' GLU . 21.4 tpp180 -69.82 128.51 36.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.468 -173.609 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.717 ' HD2' ' HB2' ' A' ' 35' ' ' LEU . 14.0 mmmm -86.12 125.45 33.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.99 0.424 . . . . 0.0 110.545 173.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 68.3 mt -125.48 131.88 71.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.707 176.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.713 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -102.62 126.92 56.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 173.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -131.15 112.17 12.61 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -176.234 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.418 ' HB ' ' CD1' ' A' ' 63' ' ' PHE . 60.3 t -96.48 120.07 45.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.152 0.501 . . . . 0.0 110.026 179.184 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.655 HG22 ' HB3' ' A' ' 64' ' ' ALA . 23.5 p -106.89 134.55 49.88 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.009 178.48 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.555 ' HA ' ' O ' ' A' ' 41' ' ' GLN . . . -152.65 154.46 35.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.721 0.296 . . . . 0.0 111.148 -178.394 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 1.07 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 40.1 t -163.69 142.93 8.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.775 175.167 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.29 -33.96 17.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.741 0.305 . . . . 0.0 111.096 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.8 p -105.47 -72.5 0.71 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -177.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.56 68.87 3.34 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.251 -0.499 . . . . 0.0 112.888 -175.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -64.32 -19.43 24.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.77 0.319 . . . . 0.0 111.705 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.02 -32.78 70.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.119 0.485 . . . . 0.0 110.607 175.221 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -72.82 -31.3 64.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.36 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.425 HG23 ' HB ' ' A' ' 9' ' ' THR . 22.7 m -61.65 -49.02 78.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.943 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -70.08 -33.35 71.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.344 -177.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.7 tpt -69.53 -44.91 70.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 0.0 110.629 177.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.407 ' HB1' ' HB2' ' A' ' 88' ' ' PRO . . . -60.2 -38.09 82.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.59 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.621 ' HA ' HG11 ' A' ' 38' ' ' VAL . . . -58.1 -47.3 83.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.091 178.009 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -67.36 -40.29 85.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.57 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.81 -46.31 65.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.397 -178.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.562 HD21 ' HB3' ' A' ' 88' ' ' PRO . 77.1 mt -60.55 -46.16 91.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.041 0.448 . . . . 0.0 110.868 177.277 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.61 ' HA ' HG21 ' A' ' 36' ' ' ILE . 85.6 tttt -61.84 -44.22 97.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.512 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.52 ' HB2' ' NZ ' ' A' ' 27' ' ' LYS . 2.6 ttmp? -61.48 -47.73 84.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.116 -177.366 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.85 -50.31 68.98 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.327 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.75 -44.67 96.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.525 0.202 . . . . 0.0 111.177 179.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -62.5 -35.56 79.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.049 178.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 31' ' ' LYS . 36.9 ttpt -67.95 -37.1 81.17 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.584 179.058 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.2 mmt -84.75 3.27 38.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.384 -178.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.58 14.06 68.91 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 120.838 -0.696 . . . . 0.0 113.089 175.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -97.78 170.43 8.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.021 0.439 . . . . 0.0 110.538 -178.113 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.717 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 87.3 mt -122.42 99.49 6.44 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.142 -179.009 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.61 HG21 ' HA ' ' A' ' 26' ' ' LYS . 15.0 tt -105.2 140.18 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.966 -177.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.468 ' HB3' HD22 ' A' ' 50' ' ' LEU . 5.8 tmtt? -115.88 105.49 12.73 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 175.551 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.621 HG11 ' HA ' ' A' ' 22' ' ' ALA . 34.7 t -92.28 120.23 41.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.103 -175.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.607 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 34.3 tt0 -95.12 139.08 31.96 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.197 178.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 25.0 m -117.61 112.83 21.07 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 120.891 0.377 . . . . 0.0 110.99 -176.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.555 ' O ' ' HA ' ' A' ' 10' ' ' ALA . 46.7 tt0 -115.11 134.72 54.91 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 177.326 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -107.83 -86.21 1.81 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.187 -1.006 . . . . 0.0 111.457 177.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -139.62 107.08 5.55 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.6 p 52.87 25.48 3.94 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.421 0.689 . . . . 0.0 111.7 -175.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.85 128.94 3.24 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.642 -0.583 . . . . 0.0 111.642 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.0 mt -118.0 122.8 70.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -178.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -88.36 -69.58 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.441 -175.273 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.561 ' HB2' ' HA ' ' A' ' 39' ' ' GLU . 75.4 m-20 -84.6 64.99 8.79 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.591 0.234 . . . . 0.0 110.813 -177.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -57.01 114.36 2.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.269 -178.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.607 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 81.8 mt -72.04 141.05 49.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.199 -178.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.463 ' O ' HG23 ' A' ' 55' ' ' VAL . 44.3 p -79.06 160.72 26.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.553 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -60.51 -38.55 84.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.313 0.578 . . . . 0.0 109.983 177.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.541 ' O ' HG12 ' A' ' 57' ' ' ILE . 47.0 mtmt -62.68 -49.09 76.49 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.905 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -59.56 -38.83 82.13 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.571 HG11 ' HG3' ' A' ' 74' ' ' ARG . 77.8 t -64.59 -42.76 96.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.331 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -73.56 -34.04 64.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.607 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.541 HG12 ' O ' ' A' ' 53' ' ' LYS . 46.4 mm -77.72 -35.97 21.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.033 0.444 . . . . 0.0 110.434 179.134 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.471 ' HA2' ' O ' ' A' ' 4' ' ' LYS . . . -64.57 131.69 37.83 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.17 176.102 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 1.017 ' HG3' ' HD2' ' A' ' 3' ' ' ARG . 6.1 mm-40 -78.04 -66.4 0.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.257 0.551 . . . . 0.0 109.985 -177.22 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.405 HG21 ' HB1' ' A' ' 99' ' ' ALA . 28.3 m -101.65 150.27 6.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.263 -176.294 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 20.4 t -110.24 114.75 47.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.057 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.9 mt -91.88 114.83 29.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.418 ' CD1' ' HB ' ' A' ' 8' ' ' VAL . 4.0 m-85 -103.85 95.41 6.0 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.788 0.328 . . . . 0.0 110.755 177.035 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.655 ' HB3' HG22 ' A' ' 9' ' ' THR . . . -97.28 89.81 4.88 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 171.308 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.444 ' HB ' ' H ' ' A' ' 66' ' ' ASP . 19.2 m -131.82 -169.11 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.456 0.646 . . . . 0.0 112.605 -167.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 1.07 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 23.4 t70 -157.71 -34.89 0.07 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.261 -1.336 . . . . 0.0 108.556 -174.591 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.6 t -117.12 -175.96 2.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.931 -1.031 . . . . 0.0 108.623 171.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -80.4 158.59 25.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.975 0.417 . . . . 0.0 110.735 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.8 m -113.7 156.71 14.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.085 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.569 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 47.2 ttt180 -92.55 -39.58 11.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.105 0.479 . . . . 0.0 110.506 179.226 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.482 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 13.0 m-20 -68.81 -6.07 24.66 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.621 -172.534 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.487 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 21.2 pttp -49.77 -23.37 1.79 Allowed 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.104 0.253 . . . . 0.0 111.543 174.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.569 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 28.7 mt-10 -43.0 -50.32 5.91 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.285 0.634 . . . . 0.0 111.546 176.746 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.571 ' HG3' HG11 ' A' ' 55' ' ' VAL . 6.6 ptp180 -84.37 -25.15 29.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.544 -172.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.639 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 24.3 m-85 -81.13 -6.97 59.44 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.125 178.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -64.09 121.13 13.44 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 177.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.7 -12.03 64.52 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.501 -178.083 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.639 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 25.3 mtpp -93.32 172.62 8.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.67 0.271 . . . . 0.0 110.396 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.0 t -85.77 118.42 32.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -178.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.9 t -118.32 141.82 35.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.795 0.331 . . . . 0.0 111.679 -172.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -125.34 115.93 21.1 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 174.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.409 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 50.5 mt-10 -109.45 125.7 52.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.852 0.358 . . . . 0.0 111.898 -173.58 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.4 m -139.03 158.56 69.41 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.091 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.417 ' O ' ' HD3' ' A' ' 88' ' ' PRO . 34.9 Cg_exo -61.62 141.03 89.81 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.578 2.186 . . . . 0.0 111.149 174.047 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.453 ' O ' ' HD2' ' A' ' 88' ' ' PRO . 14.5 p -59.83 -27.97 39.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -176.095 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.7 m -74.15 -19.69 60.48 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.616 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -68.38 -54.85 13.5 Favored Pre-proline 0 CA--C 1.539 0.536 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -175.363 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.616 ' HD3' ' HB3' ' A' ' 87' ' ' ALA . 44.2 Cg_exo -58.68 -14.85 23.32 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 122.901 2.401 . . . . 0.0 114.052 -174.439 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 47.9 mt -60.08 -51.08 77.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.109 0.481 . . . . 0.0 110.171 176.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -96.92 -36.29 10.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.145 177.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.626 ' HB3' ' HB3' ' A' ' 94' ' ' LYS . 3.3 m-20 -98.21 33.41 2.19 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.816 -173.671 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.78 -51.23 64.11 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.67 0.271 . . . . 0.0 111.245 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -64.46 -33.07 75.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.188 -179.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.626 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 29.3 tptp -68.81 -40.93 79.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.804 -178.506 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 91' ' ' ASP . 74.4 t -70.16 -44.77 77.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.04 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.04 -44.65 99.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.741 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -67.23 -38.79 85.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.203 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.38 99.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.831 0.348 . . . . 0.0 110.837 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.405 ' HB1' HG21 ' A' ' 60' ' ' VAL . . . -62.24 -38.92 91.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.945 179.057 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 98.9 mt -74.71 -31.34 61.83 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.107 178.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.99 -37.98 85.19 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -175.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.494 HD12 HG23 ' A' ' 103' ' ' ILE . 2.3 pp -73.49 -5.86 42.76 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -176.158 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.494 HG23 HD12 ' A' ' 102' ' ' LEU . 23.1 pt -112.93 -33.38 2.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 120.963 0.411 . . . . 0.0 110.462 172.293 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 17.6 t70 . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.137 178.948 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.2 ttp . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.817 0.341 . . . . 0.0 110.456 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 36.8 mtmm -91.79 101.49 14.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.702 -178.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.43 ' HE ' ' CD ' ' A' ' 59' ' ' GLU . 3.5 tpt180 -74.48 141.36 44.94 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.509 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 27.6 mmtp -90.75 114.1 26.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.483 -176.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.567 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 70.5 mt -134.77 139.88 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.55 0.214 . . . . 0.0 110.806 -177.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.903 HG22 ' HB2' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -118.28 146.06 23.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 171.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -144.23 132.26 21.61 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 121.251 -0.179 . . . . 0.0 110.7 -176.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.404 HG11 ' CG1' ' A' ' 69' ' ' VAL . 46.8 t -105.75 131.17 55.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.001 0.429 . . . . 0.0 110.859 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.6 p -119.38 126.39 51.28 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.639 176.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.468 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -152.87 127.98 9.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.058 0.456 . . . . 0.0 111.622 -176.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.6 t -149.26 147.44 28.38 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.521 ' HA ' ' HB2' ' A' ' 43' ' ' ALA . . . -92.14 -75.14 0.49 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.019 0.438 . . . . 0.0 110.81 -177.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 p -95.56 94.52 7.81 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.298 0.571 . . . . 0.0 110.528 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 129.57 48.08 0.15 Allowed Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -175.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.7 m -66.98 -14.26 17.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 N-CA-C 111.722 0.268 . . . . 0.0 111.722 -176.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.46 -33.0 67.52 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 175.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -63.78 -53.03 57.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.163 174.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.499 HG22 HG23 ' A' ' 40' ' ' THR . 5.6 m -53.28 -53.87 44.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.687 -176.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.588 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 82.1 m-85 -67.56 -46.61 72.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.507 -176.025 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.6 tpp -61.67 -41.95 98.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.754 0.312 . . . . 0.0 110.786 -178.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.06 -47.56 82.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.575 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.47 -31.59 71.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.285 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 19' ' ' TYR . 27.3 mm-40 -76.5 -52.99 8.73 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 121.103 -0.239 . . . . 0.0 110.67 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.69 -43.44 98.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.952 0.406 . . . . 0.0 111.103 -177.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.3 tp -60.8 -42.31 97.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.679 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -64.89 -45.67 84.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.303 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -59.39 -48.12 82.84 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.057 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.26 -45.16 96.56 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.631 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.95 -39.42 94.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.934 0.397 . . . . 0.0 111.067 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -68.91 -38.81 79.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.527 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -64.21 -37.74 88.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.625 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 87.4 mmm -74.5 -21.2 59.68 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.646 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.91 51.91 2.91 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.764 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.57 ' HA ' ' HA ' ' A' ' 2' ' ' LYS . 42.8 m-80 -126.65 -177.85 4.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.702 0.287 . . . . 0.0 110.612 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.488 ' HG ' ' HB3' ' A' ' 2' ' ' LYS . 83.8 mt -120.51 110.2 16.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.793 177.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.567 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 15.6 tt -120.98 143.56 32.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.087 0.47 . . . . 0.0 111.161 -175.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.903 ' HB2' HG22 ' A' ' 6' ' ' ILE . 68.2 mmtt -115.49 102.73 10.07 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.285 175.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.5 t -96.81 116.65 39.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.005 0.431 . . . . 0.0 110.599 -177.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 28.8 tt0 -94.44 132.66 38.85 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.521 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.499 HG23 HG22 ' A' ' 18' ' ' THR . 56.5 m -118.69 113.38 21.09 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.775 0.321 . . . . 0.0 110.817 -176.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.87 ' HG2' HG12 ' A' ' 46' ' ' ILE . 20.0 mt-30 -103.69 115.69 30.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.72 175.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.02 63.85 3.79 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.254 -1.139 . . . . 0.0 110.254 171.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.521 ' HB2' ' HA ' ' A' ' 12' ' ' ALA . . . 75.5 -73.26 0.09 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 124.099 0.96 . . . . 0.0 110.581 -175.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.8 m -112.86 -33.63 6.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.035 0.445 . . . . 0.0 110.644 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.8 111.42 3.24 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.735 -177.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.87 HG12 ' HG2' ' A' ' 41' ' ' GLN . 40.1 mt -85.38 120.92 36.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -96.31 -16.93 21.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.769 0.319 . . . . 0.0 111.674 -174.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.46 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 65.5 t30 -140.68 82.46 1.85 Allowed 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -76.2 111.65 11.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.227 -174.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 70.0 mt -82.01 117.16 22.01 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.063 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.2 p -82.09 176.64 9.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.737 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -53.73 -40.19 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.485 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.568 ' O ' HG13 ' A' ' 57' ' ' ILE . 25.1 ttpp -53.09 -55.95 19.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.299 176.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -66.09 -39.16 89.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.335 0.588 . . . . 0.0 110.544 -174.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.802 HG21 ' HG3' ' A' ' 74' ' ' ARG . 38.9 t -67.72 -32.23 55.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.598 -178.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -79.89 -21.35 44.11 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.824 177.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.568 HG13 ' O ' ' A' ' 53' ' ' LYS . 87.7 mt -68.8 -56.89 10.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 174.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.475 ' HA3' HG23 ' A' ' 6' ' ' ILE . . . -72.88 135.49 21.66 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.905 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 9.0 pt-20 -90.14 -45.15 9.31 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.371 -0.488 . . . . 0.0 110.961 -178.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.631 HG11 ' HB1' ' A' ' 99' ' ' ALA . 39.2 t -93.87 135.61 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.682 HG22 HD11 ' A' ' 6' ' ' ILE . 23.6 t -110.06 109.44 28.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.37 177.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.1 mt -91.22 128.46 42.98 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -112.92 107.77 16.46 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.744 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.676 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -118.3 90.69 3.39 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 173.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 10' ' ' ALA . 27.3 m -140.95 152.49 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.941 -170.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -105.21 -19.78 13.71 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.583 169.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.8 t -125.84 -172.96 2.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.257 -176.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -78.19 161.33 27.4 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.24 0.543 . . . . 0.0 111.703 -175.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.709 ' HB ' ' HB3' ' A' ' 72' ' ' LYS . 48.2 t -114.83 144.1 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.188 177.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.621 ' HB2' HD11 ' A' ' 46' ' ' ILE . 52.4 mtp180 -92.62 -40.87 10.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.899 0.38 . . . . 0.0 110.998 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.648 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 10.4 m120 -79.32 -5.9 55.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.318 -178.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.709 ' HB3' ' HB ' ' A' ' 69' ' ' VAL . 22.1 pttp -48.42 -24.97 1.42 Allowed 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.488 0.492 . . . . 0.0 112.081 -177.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -51.67 -42.59 62.25 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.251 0.345 . . . . 0.0 111.706 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.802 ' HG3' HG21 ' A' ' 55' ' ' VAL . 12.2 ptp180 -80.98 -27.54 35.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.732 0.301 . . . . 0.0 111.596 -177.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.593 ' HB3' HG11 ' A' ' 61' ' ' VAL . 90.8 m-85 -77.67 -29.23 51.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.877 178.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -66.32 128.44 36.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.637 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.07 -10.88 48.22 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -176.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.429 ' HE2' ' O ' ' A' ' 55' ' ' VAL . 18.5 mtpp -100.56 174.19 6.2 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 176.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.402 HG13 ' HA ' ' A' ' 60' ' ' VAL . 6.9 p -84.53 121.28 36.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -177.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.663 HG12 ' HB ' ' A' ' 61' ' ' VAL . 3.2 m -121.92 160.23 23.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.584 0.706 . . . . 0.0 112.268 -170.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -129.46 103.22 6.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.522 175.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -93.86 121.85 35.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.396 -174.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.6 m -141.06 164.04 38.38 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.402 178.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -62.94 148.98 92.87 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.303 2.002 . . . . 0.0 111.214 173.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.676 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 12.7 p -64.31 -24.06 34.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.213 0.53 . . . . 0.0 111.075 -177.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.6 p -74.67 -20.13 60.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.938 178.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.57 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -63.67 -53.61 49.38 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -174.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.57 ' HD3' ' HB3' ' A' ' 87' ' ' ALA . 23.4 Cg_exo -65.55 -3.58 8.06 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 122.428 2.086 . . . . 0.0 113.208 -177.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 81.4 mt -83.25 -45.0 18.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.091 0.472 . . . . 0.0 110.257 176.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -96.53 -29.52 13.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.598 -176.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.492 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.8 OUTLIER -130.95 42.99 3.17 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -173.659 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' A' ' 88' ' ' PRO . . . -52.37 -51.39 59.21 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -177.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.443 ' H ' ' CD ' ' A' ' 93' ' ' GLU . 1.5 mp0 -60.12 -33.15 71.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.142 0.496 . . . . 0.0 110.514 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.483 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 1.1 tppp? -71.6 -39.37 70.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.838 -178.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 91' ' ' ASP . 59.6 t -63.68 -38.83 83.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.46 177.14 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 92' ' ' ALA . 76.9 mt -63.11 -42.12 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.297 176.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -63.71 -36.73 84.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.712 176.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.69 -40.22 96.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.631 ' HB1' HG11 ' A' ' 60' ' ' VAL . . . -60.29 -42.17 94.92 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.319 0.581 . . . . 0.0 110.163 176.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.97 -29.09 69.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.754 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.878 ' HA ' ' HA ' ' A' ' 105' ' ' GLU . . . -71.11 -19.15 62.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.753 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.02 -21.34 31.67 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.642 0.258 . . . . 0.0 111.336 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.0 pt -113.9 -24.98 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -177.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -135.92 -54.61 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.768 0.318 . . . . 0.0 110.42 -174.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.878 ' HA ' ' HA ' ' A' ' 101' ' ' ALA . 28.6 tt0 68.72 101.97 0.06 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.186 -0.916 . . . . 0.0 112.271 178.308 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 57.6 tttp . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.635 -0.698 . . . . 0.0 110.206 168.61 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.2 mtt . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 121.027 0.442 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.65 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 46.2 pttt -81.55 80.72 7.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.362 0.601 . . . . 0.0 111.393 -177.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 0.6 OUTLIER -84.47 133.7 34.47 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 176.159 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.561 ' HG3' ' HG3' ' A' ' 59' ' ' GLU . 4.6 ptpt -92.56 116.6 29.14 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.35 0.595 . . . . 0.0 110.983 -177.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.503 HG23 HG23 ' A' ' 60' ' ' VAL . 50.1 mt -129.38 140.43 49.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.478 -174.092 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.793 HD11 HG22 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -114.52 137.15 48.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 173.198 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.46 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -138.0 132.31 32.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.832 0.348 . . . . 0.0 111.006 -175.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -108.84 116.2 51.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.474 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.1 p -100.97 114.13 27.75 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.201 174.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.66 ' HA ' ' O ' ' A' ' 41' ' ' GLN . . . -136.37 109.14 7.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.171 0.51 . . . . 0.0 111.128 -177.171 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.425 ' HB2' HG21 ' A' ' 85' ' ' VAL . 45.5 t -119.4 128.44 54.05 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.585 -178.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.08 -10.65 17.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.356 177.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.3 m -84.74 -51.53 6.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.467 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.4 108.53 0.7 Allowed Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.564 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.4 t -56.33 -32.14 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.877 0.37 . . . . 0.0 111.278 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.03 -35.48 71.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.969 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.7 m170 -66.27 -33.13 75.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.155 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.416 HG22 HG22 ' A' ' 40' ' ' THR . 25.6 m -58.32 -51.64 68.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.125 0.488 . . . . 0.0 110.8 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -75.95 -33.64 59.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.848 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.443 ' SD ' HD13 ' A' ' 89' ' ' ILE . 48.7 ttm -62.64 -48.84 77.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.852 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.478 ' HA ' HG12 ' A' ' 89' ' ' ILE . . . -65.37 -47.82 75.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.943 -177.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.01 -42.7 85.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.513 -178.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -70.49 -47.43 60.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.279 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.55 -43.3 90.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.042 0.448 . . . . 0.0 110.951 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.596 ' HB2' ' HB2' ' A' ' 88' ' ' PRO . 57.9 tp -60.67 -48.95 79.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.983 177.294 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -67.91 -30.31 69.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -62.45 -48.09 81.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.017 177.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.66 -40.8 96.07 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.744 177.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.22 -48.26 80.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.999 0.428 . . . . 0.0 111.166 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -64.66 -32.07 73.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.253 0.549 . . . . 0.0 110.151 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -67.57 -30.29 69.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.545 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.523 ' HB2' ' ND2' ' A' ' 34' ' ' ASN . 21.8 mmt -80.99 -28.36 35.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.74 -179.011 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.88 18.73 17.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.546 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.65 ' HA ' ' HA ' ' A' ' 2' ' ' LYS . 3.8 p30 -104.42 168.22 9.24 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.031 0.443 . . . . 0.0 110.998 178.255 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.7 mt -100.5 130.42 46.58 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.674 -178.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.497 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 17.4 tt -137.34 139.34 43.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.231 0.539 . . . . 0.0 111.344 -176.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.07 102.25 9.46 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.253 177.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 3.6 m -93.99 130.2 43.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.079 0.466 . . . . 0.0 111.55 -179.144 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.642 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 36.8 tt0 -103.94 137.95 41.2 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.832 176.139 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.478 ' OG1' ' HB3' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -106.45 111.53 24.14 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.493 179.812 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.66 ' O ' ' HA ' ' A' ' 10' ' ' ALA . 7.8 tt0 -131.92 163.14 29.0 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.61 -72.57 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.24 -0.981 . . . . 0.0 112.138 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.86 122.1 4.64 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.1 p 52.75 26.89 4.81 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.484 0.713 . . . . 0.0 111.951 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.58 118.2 0.81 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.884 -175.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 50.2 mt -110.96 127.7 67.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 175.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.478 ' HB3' ' OG1' ' A' ' 40' ' ' THR . 40.1 tt0 -90.94 -63.48 1.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.06 -175.198 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.49 ' HB3' ' HA ' ' A' ' 39' ' ' GLU . 19.3 t-20 -69.95 -47.15 63.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.304 -175.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 63.38 87.97 0.1 Allowed 'General case' 0 C--O 1.236 0.345 0 O-C-N 123.726 0.641 . . . . 0.0 110.442 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.642 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 84.6 mt -66.01 110.99 3.13 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.537 0.684 . . . . 0.0 111.21 -177.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.479 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -74.42 156.6 36.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.431 -178.495 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -53.34 -39.27 63.97 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.904 -175.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.534 ' O ' HG13 ' A' ' 57' ' ' ILE . 24.5 mtpp -53.78 -56.92 13.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.919 177.14 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.25 -33.84 75.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -177.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 51' ' ' THR . 89.1 t -63.43 -39.47 85.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.175 178.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -83.23 -18.66 38.47 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.73 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.534 HG13 ' O ' ' A' ' 53' ' ' LYS . 77.2 mt -72.78 -63.12 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 173.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.52 ' HA3' HG23 ' A' ' 6' ' ' ILE . . . -55.91 126.67 40.85 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.338 177.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.561 ' HG3' ' HG3' ' A' ' 4' ' ' LYS . 35.0 mt-10 -84.99 -59.68 2.27 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -177.045 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.503 HG23 HG23 ' A' ' 5' ' ' ILE . 15.9 m -95.39 145.98 7.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.287 176.066 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.793 HG22 HD11 ' A' ' 6' ' ' ILE . 12.4 t -112.23 140.51 31.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.913 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.44 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 68.9 mt -119.45 131.14 72.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 176.244 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -116.56 110.89 19.16 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.755 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.502 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -114.53 91.22 3.55 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 174.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.515 HG12 ' HB3' ' A' ' 10' ' ' ALA . 29.7 m -142.79 156.21 17.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.094 -169.28 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -101.59 -35.46 9.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.055 168.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.4 t -107.33 -171.8 1.95 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.946 -1.025 . . . . 0.0 110.151 -175.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -78.23 157.63 29.24 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.745 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.504 ' HB ' ' HB3' ' A' ' 72' ' ' LYS . 61.1 t -115.22 133.9 60.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.907 174.008 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -67.32 -55.71 12.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.306 0.574 . . . . 0.0 110.717 175.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.582 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 87.2 m-20 -71.62 -6.2 39.15 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.766 -170.036 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.504 ' HB3' ' HB ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -55.6 -23.5 27.71 Favored 'General case' 0 C--O 1.221 -0.428 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 177.407 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -47.42 -44.76 24.95 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.379 0.672 . . . . 0.0 112.445 177.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.582 ' HG2' ' O ' ' A' ' 71' ' ' ASN . 7.7 ptp180 -81.24 -26.87 35.51 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.975 0.417 . . . . 0.0 111.232 -176.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.567 ' CE1' HG13 ' A' ' 6' ' ' ILE . 38.5 m-85 -84.32 -13.12 53.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.452 178.157 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -63.83 -32.31 73.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.168 -176.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -90.34 9.93 75.92 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.949 176.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -116.66 -174.49 2.58 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.421 HG13 ' HA ' ' A' ' 60' ' ' VAL . 4.6 p -97.34 118.68 44.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.948 0.404 . . . . 0.0 110.454 -178.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.637 HG12 ' HB ' ' A' ' 61' ' ' VAL . 2.8 m -121.56 157.42 25.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.298 0.57 . . . . 0.0 111.829 -174.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.458 ' HB2' HD11 ' A' ' 102' ' ' LEU . 2.5 tm? -126.5 111.63 14.63 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 173.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -95.61 131.75 41.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.961 -174.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.5 m -142.27 163.67 38.14 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.166 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -64.43 153.75 75.29 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.214 1.943 . . . . 0.0 110.952 171.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.502 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 9.4 p -65.07 -25.85 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.024 0.44 . . . . 0.0 111.076 -177.165 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.47 ' HA ' HD12 ' A' ' 89' ' ' ILE . 30.4 t -74.49 -21.3 59.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.012 0.434 . . . . 0.0 111.179 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.0 -55.36 38.27 Favored Pre-proline 0 CA--C 1.537 0.46 0 N-CA-C 112.737 0.644 . . . . 0.0 112.737 -173.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.596 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 57.8 Cg_endo -69.27 -7.2 20.26 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 121.962 1.775 . . . . 0.0 112.994 -176.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.478 HG12 ' HA ' ' A' ' 21' ' ' ALA . 68.7 mt -77.92 -43.24 28.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.276 0.56 . . . . 0.0 109.737 176.337 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -97.05 -43.41 7.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.43 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.486 ' HB3' ' HB3' ' A' ' 94' ' ' LYS . 41.3 m-20 -115.36 40.92 2.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.538 -169.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.596 ' O ' HG12 ' A' ' 95' ' ' VAL . . . -56.87 -38.87 73.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.855 0.359 . . . . 0.0 110.959 178.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -59.09 -40.88 86.64 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.286 0.565 . . . . 0.0 110.433 176.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.686 ' HA ' ' HE3' ' A' ' 94' ' ' LYS . 1.8 tpmt? -73.61 -41.72 62.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.52 -175.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.596 HG12 ' O ' ' A' ' 92' ' ' ALA . 5.3 p -65.59 -39.56 85.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.375 -178.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.25 -50.94 77.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.544 174.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -61.59 -36.12 79.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.197 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.56 -36.99 84.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.299 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.88 94.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.688 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.422 ' HB3' ' HG2' ' A' ' 105' ' ' GLU . 4.4 mm? -63.66 -30.66 71.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.105 177.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.748 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -66.0 -17.4 64.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.848 0.356 . . . . 0.0 111.382 -178.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.458 HD11 ' HB2' ' A' ' 81' ' ' LEU . 94.0 mt -75.33 -26.92 59.02 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.509 -179.138 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 104' ' ' ASP . 19.6 pt -128.37 -49.05 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -175.591 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.42 ' N ' HG13 ' A' ' 103' ' ' ILE . 27.8 m-20 -95.8 -58.01 2.22 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -172.193 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.748 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 11.9 mm-40 -70.79 -28.63 64.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.482 -174.35 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 58.3 tttp . . . . . 0 C--O 1.247 0.923 0 O-C-N 123.87 0.731 . . . . 0.0 110.82 174.788 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.471 ' O ' ' HB3' ' A' ' 34' ' ' ASN . 62.6 mtt . . . . . 0 N--CA 1.481 1.112 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -40.63 97.52 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 -172.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.437 ' HD2' ' CG ' ' A' ' 59' ' ' GLU . 2.9 tpp180 -155.32 143.95 20.5 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.806 172.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.43 ' HD2' ' HB2' ' A' ' 35' ' ' LEU . 13.6 mmmm -79.86 122.0 26.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.092 0.472 . . . . 0.0 110.737 176.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 67.8 mt -127.2 133.89 67.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.29 176.399 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.602 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.1 OUTLIER -111.8 132.5 60.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 120.907 0.384 . . . . 0.0 110.147 177.92 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.472 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -135.98 129.59 32.33 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.863 -176.189 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.614 HG11 HG21 ' A' ' 69' ' ' VAL . 61.9 t -108.8 131.04 60.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.112 0.482 . . . . 0.0 110.618 178.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.485 ' O ' ' HA ' ' A' ' 40' ' ' THR . 17.0 p -115.6 115.94 27.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.373 175.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.517 ' HA ' ' O ' ' A' ' 41' ' ' GLN . . . -139.61 106.59 5.43 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.833 0.349 . . . . 0.0 111.27 -175.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.612 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 52.2 t -148.26 126.03 11.88 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.941 179.054 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.674 ' HB3' HG21 ' A' ' 67' ' ' THR . . . -108.91 -19.37 13.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.033 -178.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.4 p -76.83 -42.0 42.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.243 0.544 . . . . 0.0 110.468 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -126.38 79.62 0.37 Allowed Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.403 177.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 m -60.25 -28.68 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -174.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.8 -27.79 67.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.099 0.476 . . . . 0.0 110.819 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -74.52 -38.99 62.65 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.612 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 1.5 m -59.96 -58.61 7.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.463 -178.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -66.08 -27.59 68.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.587 -175.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.8 tpp -67.21 -58.64 4.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.242 176.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.11 -39.78 83.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.137 -177.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.514 ' O ' ' HG3' ' A' ' 26' ' ' LYS . . . -53.94 -57.23 11.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.15 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.488 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 76.6 mt-30 -71.96 -33.7 68.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.166 -177.492 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.77 -43.41 94.36 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.887 0.375 . . . . 0.0 110.482 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.557 HD21 ' HB3' ' A' ' 88' ' ' PRO . 84.0 mt -61.25 -44.03 97.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.099 175.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 54.8 mtpt -63.24 -36.46 83.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 23' ' ' GLN . 89.6 mttt -70.58 -52.58 20.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.156 0.503 . . . . 0.0 110.618 177.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.91 -20.46 48.7 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.972 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.412 ' HB2' HG22 ' A' ' 36' ' ' ILE . . . -54.8 -49.07 71.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.629 0.252 . . . . 0.0 111.244 177.107 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -69.45 -28.01 65.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.096 0.474 . . . . 0.0 110.765 -177.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.519 ' HD3' ' HG2' ' A' ' 93' ' ' GLU . 86.3 tttt -70.94 -30.23 66.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.219 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.418 ' HA ' ' CE ' ' A' ' 32' ' ' MET . 10.1 mmt -92.62 -14.43 28.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.224 176.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.23 21.16 65.57 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.989 176.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.475 HD22 HG21 ' A' ' 96' ' ' ILE . 18.3 p30 -115.08 173.08 6.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.652 0.263 . . . . 0.0 111.222 -178.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.43 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 62.0 mt -111.21 107.57 16.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.035 -176.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 14.6 tt -106.93 143.31 17.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.193 0.52 . . . . 0.0 110.62 -176.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.448 ' HB2' HG22 ' A' ' 6' ' ' ILE . 13.9 mmmm -116.14 104.34 11.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.064 175.268 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.472 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 61.3 t -96.56 126.33 49.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.393 0.616 . . . . 0.0 111.505 -175.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.86 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 29.4 tt0 -102.18 147.75 26.26 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.941 175.141 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' A' ' 9' ' ' THR . 87.3 m -133.72 120.6 20.78 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 120.655 0.264 . . . . 0.0 110.907 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.631 ' HG2' HG12 ' A' ' 46' ' ' ILE . 10.9 mt-30 -121.26 148.18 44.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.165 175.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -94.85 -69.3 1.06 Allowed Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 169.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -143.37 -49.06 0.31 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.086 0.469 . . . . 0.0 109.812 173.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.4 m -119.15 -28.85 5.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.243 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -87.0 129.86 9.7 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.688 -175.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.631 HG12 ' HG2' ' A' ' 41' ' ' GLN . 47.8 mt -109.44 129.75 63.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.448 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 33.1 tt0 -85.99 -32.87 21.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.757 0.313 . . . . 0.0 111.047 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -147.28 94.14 2.35 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 -177.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -68.56 127.66 33.83 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.17 0.509 . . . . 0.0 111.397 -177.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.86 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 78.2 mt -87.6 136.6 32.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.325 175.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.644 ' O ' HG23 ' A' ' 55' ' ' VAL . 77.5 p -90.62 158.58 16.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.724 -178.434 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -59.38 -35.01 73.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.725 0.298 . . . . 0.0 110.598 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -68.06 -34.74 77.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.92 178.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.17 -43.74 94.21 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.196 0.522 . . . . 0.0 109.984 174.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 51' ' ' THR . 21.2 t -71.52 -31.12 41.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.14 -176.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -74.55 -48.56 26.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.841 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.8 mm -69.81 -29.47 40.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.855 0.36 . . . . 0.0 110.339 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 4' ' ' LYS . . . -64.6 140.58 42.88 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.87 172.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.437 ' CG ' ' HD2' ' A' ' 3' ' ' ARG . 61.1 mm-40 -87.0 -46.45 9.82 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.095 0.474 . . . . 0.0 110.488 -178.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.2 m -125.85 148.43 30.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.013 -176.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.631 ' HB ' HG12 ' A' ' 80' ' ' VAL . 40.9 t -112.14 141.54 27.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.376 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.908 HD11 ' HB2' ' A' ' 99' ' ' ALA . 24.5 mm -113.22 131.65 64.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 120.776 0.322 . . . . 0.0 110.132 174.467 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -119.06 104.18 10.23 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.209 176.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.671 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -107.63 90.84 3.42 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 172.385 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 32.6 m -136.3 157.29 37.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.664 0.745 . . . . 0.0 112.715 -170.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.01 -27.76 2.72 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.197 -1.365 . . . . 0.0 108.552 170.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.674 HG21 ' HB3' ' A' ' 12' ' ' ALA . 10.2 p -113.72 -166.0 1.05 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.045 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -87.8 136.23 33.05 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.083 -172.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.614 HG21 HG11 ' A' ' 8' ' ' VAL . 0.8 OUTLIER -115.82 129.15 72.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.313 174.224 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 71' ' ' ASN . 0.0 OUTLIER -85.46 -24.62 27.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.266 0.555 . . . . 0.0 110.717 -170.246 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.43 ' HA ' HH21 ' A' ' 74' ' ' ARG . 83.1 m-20 -82.71 -5.83 59.08 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.233 -179.162 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.588 ' HB2' HG13 ' A' ' 69' ' ' VAL . 41.1 ttmt -49.42 -28.78 5.55 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.677 0.611 . . . . 0.0 111.081 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.461 ' HB2' ' NH2' ' A' ' 74' ' ' ARG . 38.9 mt-10 -52.96 -37.81 61.46 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.733 177.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.461 ' NH2' ' HB2' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -62.71 -46.32 88.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.333 0.587 . . . . 0.0 110.482 179.748 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.551 ' HD2' ' HA ' ' A' ' 72' ' ' LYS . 4.3 m-85 -83.48 -0.46 50.24 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.738 -174.233 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -60.56 -47.07 87.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 -178.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -88.68 4.32 85.04 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.562 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.9 -177.04 3.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.818 0.342 . . . . 0.0 110.919 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.9 t -100.03 117.93 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.084 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.631 HG12 ' HB ' ' A' ' 61' ' ' VAL . 1.9 m -124.46 152.02 30.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.234 0.54 . . . . 0.0 111.744 -174.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.528 ' HB3' HD13 ' A' ' 62' ' ' ILE . 2.4 tm? -119.96 106.13 11.73 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 172.429 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -98.21 132.34 43.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -174.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.6 m -142.87 167.02 17.27 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.3 -178.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -59.77 146.8 94.62 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.469 2.113 . . . . 0.0 111.302 172.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.671 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 14.4 p -62.26 -31.63 52.22 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 -173.105 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.4 m -75.36 -19.35 59.62 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.61 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -57.85 -54.22 57.65 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -175.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.61 ' HD3' ' HB3' ' A' ' 87' ' ' ALA . 12.7 Cg_exo -71.76 4.02 3.4 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.382 2.055 . . . . 0.0 113.522 -177.111 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 27.1 mt -67.97 -50.17 61.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 110.607 178.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -96.2 -37.57 10.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.139 0.495 . . . . 0.0 110.792 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.772 ' HB3' ' HB2' ' A' ' 94' ' ' LYS . 28.4 m-20 -104.87 41.86 1.28 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.893 -170.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.719 ' O ' HG12 ' A' ' 95' ' ' VAL . . . -59.43 -44.15 92.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.72 0.295 . . . . 0.0 111.558 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.519 ' HG2' ' HD3' ' A' ' 31' ' ' LYS . 2.2 mp0 -68.09 -30.59 69.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.274 0.559 . . . . 0.0 110.263 178.048 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.772 ' HB2' ' HB3' ' A' ' 91' ' ' ASP . 74.9 mmtt -74.05 -40.83 62.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.944 -177.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.719 HG12 ' O ' ' A' ' 92' ' ' ALA . 3.1 p -65.48 -37.49 80.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.144 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.475 HG21 HD22 ' A' ' 34' ' ' ASN . 73.8 mt -62.21 -46.49 96.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.314 174.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -61.41 -38.45 87.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 177.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.67 -39.68 92.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.661 177.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.908 ' HB2' HD11 ' A' ' 62' ' ' ILE . . . -67.79 -45.38 74.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.037 0.446 . . . . 0.0 110.814 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 98.4 mt -59.14 -27.7 65.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.63 177.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.884 ' HA ' ' HA ' ' A' ' 105' ' ' GLU . . . -63.97 -21.95 66.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.826 177.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.63 -18.16 57.05 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.551 0.204 . . . . 0.0 111.551 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 21.7 pt -115.58 -30.82 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -178.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.445 ' OD2' ' HB3' ' A' ' 106' ' ' LYS . 23.6 t70 -137.31 -41.2 0.57 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.524 -177.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.884 ' HA ' ' HA ' ' A' ' 101' ' ' ALA . 0.4 OUTLIER 63.95 70.65 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.947 -178.584 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.538 ' NZ ' ' HB3' ' A' ' 106' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.244 0.773 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.242 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 ttt . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 121.012 0.434 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.597 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 52.6 mttp -113.82 98.47 7.04 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.789 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -63.58 134.39 55.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.257 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.416 ' CB ' ' HA2' ' A' ' 58' ' ' GLY . 39.7 mmtm -81.89 110.05 16.82 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 178.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.563 HG23 HD13 ' A' ' 62' ' ' ILE . 67.5 mt -117.28 130.96 71.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.317 -176.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.562 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -115.84 125.84 73.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 168.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -132.55 139.17 47.75 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.815 -174.264 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.483 HG13 ' HB3' ' A' ' 39' ' ' GLU . 52.8 t -118.78 126.31 75.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.382 178.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.476 HG22 ' HB3' ' A' ' 64' ' ' ALA . 35.7 p -107.06 131.4 54.13 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 173.494 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.442 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -145.74 112.91 6.14 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.858 0.361 . . . . 0.0 111.188 -177.051 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.0 t -152.25 127.14 9.62 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.91 -21.66 13.95 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.724 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.2 p -94.64 110.06 21.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.414 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.35 71.03 1.09 Allowed Glycine 0 N--CA 1.443 -0.871 0 N-CA-C 110.172 -1.171 . . . . 0.0 110.172 -171.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.5 p -52.14 -23.64 4.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 123.312 0.645 . . . . 0.0 112.606 -175.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.8 -25.9 65.31 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.656 0.265 . . . . 0.0 111.14 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -58.54 -50.31 74.25 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.737 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.595 HG22 HG23 ' A' ' 40' ' ' THR . 3.4 m -62.1 -26.44 68.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.325 -176.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -90.41 -44.19 9.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.023 -178.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.4 tpt -63.73 -41.91 97.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.256 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.13 -45.25 89.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.46 98.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.473 -178.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.427 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 3.5 pt20 -76.6 -36.48 57.48 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.318 -177.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.69 -40.84 79.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.066 0.46 . . . . 0.0 110.132 177.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.536 ' HA ' ' HB1' ' A' ' 92' ' ' ALA . 60.9 tp -63.02 -39.64 95.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.332 175.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -62.07 -40.51 96.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.086 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 23' ' ' GLN . 34.0 mmtp -62.63 -48.99 76.95 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.529 175.414 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 31' ' ' LYS . . . -58.87 -37.04 90.08 Favored Glycine 0 CA--C 1.517 0.159 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.394 178.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.49 -45.85 82.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.593 0.235 . . . . 0.0 110.799 178.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -69.94 -27.29 64.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.408 178.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 24.4 tptm -61.82 -40.96 97.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.077 177.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.424 ' HB2' ' ND2' ' A' ' 34' ' ' ASN . 92.4 mmm -93.89 -9.84 35.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.302 -177.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.74 58.5 3.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.981 177.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.424 ' ND2' ' HB2' ' A' ' 32' ' ' MET . 36.5 m-80 -124.42 178.33 5.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.784 0.326 . . . . 0.0 110.507 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.597 ' HG ' ' HB3' ' A' ' 2' ' ' LYS . 95.2 mt -114.87 114.1 25.07 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 175.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.8 tt -118.68 140.74 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 CA-C-O 121.554 0.692 . . . . 0.0 111.751 -172.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.969 ' HG3' HD22 ' A' ' 50' ' ' LEU . 1.3 tpmt? -116.48 100.46 7.88 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.761 -1.109 . . . . 0.0 108.424 174.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 8.1 p -99.96 130.65 48.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.357 0.599 . . . . 0.0 111.834 -174.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.553 ' CD ' HG23 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -100.28 151.85 20.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.331 176.747 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.595 HG23 HG22 ' A' ' 18' ' ' THR . 22.2 m -128.19 97.82 4.89 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.776 0.322 . . . . 0.0 110.461 -177.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.63 HE22 ' HA ' ' A' ' 69' ' ' VAL . 18.6 mt-30 -94.59 107.87 19.85 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 174.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.95 -11.42 74.2 Favored Glycine 0 CA--C 1.516 0.145 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.517 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -169.24 -128.01 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 m -85.76 -5.03 59.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.439 0.637 . . . . 0.0 109.332 172.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.08 163.23 29.07 Favored Glycine 0 C--N 1.334 0.444 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.909 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.553 HG23 ' CD ' ' A' ' 39' ' ' GLU . 3.9 mp -117.14 139.21 45.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 122.011 0.124 . . . . 0.0 111.05 -173.298 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -104.03 -62.22 1.34 Allowed 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.414 ' HB3' ' HA ' ' A' ' 39' ' ' GLU . 26.9 t-20 -80.51 -43.34 20.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.517 -172.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 69.9 107.01 0.06 Allowed 'General case' 0 C--O 1.233 0.221 0 O-C-N 124.208 0.942 . . . . 0.0 110.934 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.969 HD22 ' HG3' ' A' ' 37' ' ' LYS . 16.6 mt -81.85 104.32 12.14 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 175.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.428 ' O ' HG23 ' A' ' 55' ' ' VAL . 46.7 p -59.45 150.86 25.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.969 -175.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -55.56 -37.38 67.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.712 -178.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -69.26 -43.83 73.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.343 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -65.15 -32.21 73.79 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.033 0.444 . . . . 0.0 110.831 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.526 ' HA ' HG21 ' A' ' 6' ' ' ILE . 76.5 t -71.02 -35.91 61.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.249 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -73.19 -31.26 64.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.757 0.313 . . . . 0.0 110.606 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.3 mm -71.07 -48.69 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 174.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.515 ' HA3' HG23 ' A' ' 6' ' ' ILE . . . -61.29 138.89 47.4 Favored Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 176.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -98.8 -59.07 1.81 Allowed 'General case' 0 C--N 1.317 -0.828 0 O-C-N 122.639 -0.33 . . . . 0.0 110.843 -175.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.6 m -95.37 139.38 18.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.543 HG22 HD11 ' A' ' 6' ' ' ILE . 18.4 t -109.86 117.97 55.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.388 -179.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.563 HD13 HG23 ' A' ' 5' ' ' ILE . 2.1 mp -101.55 122.52 53.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.074 0.464 . . . . 0.0 110.148 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -107.84 106.14 16.28 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 177.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.48 ' CB ' ' HG3' ' A' ' 88' ' ' PRO . . . -107.02 90.58 3.34 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 171.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.1 m -136.69 161.0 37.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 121.421 0.629 . . . . 0.0 112.022 -169.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -120.11 -32.7 4.11 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.0 171.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.0 t -106.61 -168.68 1.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.188 174.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -93.15 169.45 10.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.006 0.431 . . . . 0.0 111.048 -176.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.687 HG23 ' HB2' ' A' ' 72' ' ' LYS . 19.1 m -127.88 149.48 32.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.559 -172.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.535 ' HB3' HD11 ' A' ' 46' ' ' ILE . 76.0 ttt180 -94.44 -30.53 14.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.115 0.483 . . . . 0.0 110.494 175.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.556 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 51.5 m-80 -67.29 -13.46 62.01 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.715 -176.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.687 ' HB2' HG23 ' A' ' 69' ' ' VAL . 23.7 tptm -51.13 -31.73 20.49 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 122.914 0.486 . . . . 0.0 112.057 -176.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -52.79 -46.47 67.62 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -176.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 71' ' ' ASN . 11.8 ptp180 -75.63 -13.73 60.34 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -174.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.764 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 25.6 m-85 -91.84 0.82 57.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.598 0.237 . . . . 0.0 111.471 -178.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -63.88 134.27 54.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.761 0.315 . . . . 0.0 110.673 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.27 2.45 90.36 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.275 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.764 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 25.7 mtpp -108.24 179.89 4.08 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.46 HG11 HG23 ' A' ' 103' ' ' ILE . 40.8 t -87.7 124.79 41.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -177.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.4 t -120.36 137.89 52.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.314 0.578 . . . . 0.0 111.931 -172.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -127.87 109.49 11.66 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 174.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -106.29 125.34 50.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.718 -174.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.4 m -139.77 161.81 54.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.886 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -61.17 146.08 97.95 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.495 2.13 . . . . 0.0 111.323 174.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.7 p -64.28 -23.13 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.185 0.516 . . . . 0.0 111.395 -175.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 p -75.09 -24.67 58.17 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.54 -52.98 48.59 Favored Pre-proline 0 CA--C 1.541 0.597 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 -172.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.488 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 74.4 Cg_endo -71.76 1.78 5.38 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 122.237 1.958 . . . . 0.0 113.573 -172.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 67.6 mt -73.22 -44.12 56.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.188 0.518 . . . . 0.0 109.775 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -96.82 -53.79 3.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.62 175.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.777 ' HB3' ' HB3' ' A' ' 94' ' ' LYS . 22.0 m-20 -94.71 42.62 1.09 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.679 -170.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.536 ' HB1' ' HA ' ' A' ' 25' ' ' LEU . . . -58.48 -47.45 84.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.289 0.566 . . . . 0.0 110.726 -174.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -70.73 -26.59 63.45 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.006 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.777 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 28.1 tptp -72.23 -35.98 68.99 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 91' ' ' ASP . 89.8 t -64.72 -40.63 89.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.393 175.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.7 -44.44 98.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.065 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -61.42 -33.46 73.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.752 178.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.81 -40.53 91.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.521 176.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.21 -43.04 96.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.956 0.408 . . . . 0.0 110.457 177.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.436 HD13 HD11 ' A' ' 103' ' ' ILE . 4.2 mm? -61.9 -31.65 71.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.792 175.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.601 ' HA ' ' HA ' ' A' ' 105' ' ' GLU . . . -68.54 -17.64 64.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.446 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.02 -15.41 41.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.571 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.46 HG23 HG11 ' A' ' 79' ' ' VAL . 31.0 pt -119.57 -18.21 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.475 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -149.9 -59.42 0.2 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.433 0.158 . . . . 0.0 110.872 -175.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.601 ' HA ' ' HA ' ' A' ' 101' ' ' ALA . 44.4 tt0 70.49 95.28 0.07 Allowed 'General case' 0 N--CA 1.468 0.468 0 O-C-N 124.038 0.836 . . . . 0.0 112.029 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 96.6 mttt . . . . . 0 C--O 1.25 1.125 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.446 173.692 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.453 ' SD ' ' HG3' ' A' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.522 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 85.6 mttt 64.22 97.48 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.843 0.714 . . . . 0.0 109.649 -173.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 3' ' ' ARG . 0.6 OUTLIER -59.74 129.99 44.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 0.0 110.317 -176.091 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.438 ' NZ ' HD12 ' A' ' 35' ' ' LEU . 72.2 mmtt -78.66 105.91 10.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.736 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 48.7 mt -122.33 132.39 71.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 120.983 0.421 . . . . 0.0 110.969 -175.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.75 ' HB ' HD21 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -111.39 131.94 61.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.665 176.211 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.479 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -134.48 140.2 46.04 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.903 0.382 . . . . 0.0 111.053 -175.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.7 t -122.02 117.57 52.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.198 176.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.536 HG22 ' HB3' ' A' ' 64' ' ' ALA . 21.9 p -99.84 123.75 44.43 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.471 175.211 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.605 ' HA ' ' O ' ' A' ' 41' ' ' GLN . . . -141.88 98.05 3.26 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.733 -174.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.49 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 53.6 t -137.87 107.79 6.32 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.342 177.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.07 -32.82 33.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.15 177.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 m -60.19 -46.95 87.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.742 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -129.94 86.0 0.31 Allowed Glycine 0 N--CA 1.443 -0.854 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 177.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.3 p -62.97 -29.14 46.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.661 0.267 . . . . 0.0 111.363 -176.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.94 -31.74 72.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.04 0.448 . . . . 0.0 110.463 177.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -68.11 -41.52 81.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.867 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.49 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 28.8 m -56.19 -50.81 70.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.217 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.4 ' HD1' ' N ' ' A' ' 19' ' ' TYR . 2.0 m-30 -71.07 -39.85 71.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.997 -175.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.9 ttt -66.34 -40.8 90.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.557 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.442 ' HA ' HG12 ' A' ' 89' ' ' ILE . . . -60.97 -48.61 81.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.415 ' HA ' HG11 ' A' ' 38' ' ' VAL . . . -56.73 -41.28 77.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -71.14 -48.4 52.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.104 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.85 -39.14 93.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.038 0.447 . . . . 0.0 111.076 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.7 tp -64.97 -39.29 93.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.587 177.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -70.1 -28.99 65.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.437 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -65.81 -42.39 90.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.692 176.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.86 -39.46 96.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.736 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.62 -37.83 87.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.501 0.191 . . . . 0.0 110.554 176.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -66.47 -38.34 87.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.821 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -65.99 -53.88 33.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.308 0.575 . . . . 0.0 110.622 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.3 mmt -73.72 -29.0 62.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.243 -177.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.04 57.55 1.3 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.434 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -128.32 170.89 12.55 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.522 ' HG ' ' HB3' ' A' ' 2' ' ' LYS . 79.0 mt -116.03 109.45 17.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.951 0.405 . . . . 0.0 110.035 178.35 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.47 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 16.3 tt -119.78 141.85 38.01 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.787 -176.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.426 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 15.5 mmtp -115.16 104.55 11.97 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.53 176.095 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 15.6 t -101.94 121.15 52.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.094 -176.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 40.1 tt0 -94.42 140.63 29.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.586 177.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.0 p -110.79 106.96 16.31 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.999 0.428 . . . . 0.0 110.311 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.605 ' O ' ' HA ' ' A' ' 10' ' ' ALA . 6.5 tt0 -118.3 101.15 7.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.434 -175.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.92 -76.83 1.25 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.367 -0.92 . . . . 0.0 111.91 -177.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.431 ' C ' ' H ' ' A' ' 45' ' ' GLY . . . -143.06 93.7 2.53 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.8 p 59.59 -5.7 0.07 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.521 1.129 . . . . 0.0 113.597 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.431 ' H ' ' C ' ' A' ' 43' ' ' ALA . . . -99.88 113.89 4.85 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 176.496 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.7 mm -97.81 115.56 38.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 120.429 0.157 . . . . 0.0 111.132 -173.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -109.75 132.74 53.87 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 173.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.431 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 6.8 t30 63.9 71.33 0.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 O-C-N 124.221 0.95 . . . . 0.0 109.3 -171.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.06 110.82 1.94 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.865 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.75 HD21 ' HB ' ' A' ' 6' ' ' ILE . 12.8 tp -77.37 99.77 5.69 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-O 121.3 0.571 . . . . 0.0 109.954 -178.386 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.469 ' O ' HG23 ' A' ' 55' ' ' VAL . 13.5 t -82.6 168.33 17.43 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.441 -170.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -55.16 -38.85 68.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.207 -173.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.44 ' O ' HG12 ' A' ' 57' ' ' ILE . 72.8 mmtt -56.87 -49.26 76.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.543 0.211 . . . . 0.0 111.136 -179.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -65.89 -42.19 90.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.07 0.462 . . . . 0.0 110.693 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.632 HG11 ' HG3' ' A' ' 74' ' ' ARG . 59.7 t -66.4 -39.03 83.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.012 -175.391 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -73.12 -34.16 65.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.528 0.204 . . . . 0.0 111.021 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' ' 53' ' ' LYS . 37.6 mm -72.82 -48.97 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.747 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.57 135.08 41.66 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.786 178.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.61 -43.75 7.44 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 122.514 -0.403 . . . . 0.0 111.517 -175.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.469 HG23 HG23 ' A' ' 5' ' ' ILE . 14.0 m -103.56 136.02 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.112 0.482 . . . . 0.0 110.91 179.153 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.569 HG22 HD11 ' A' ' 6' ' ' ILE . 11.8 t -110.23 135.76 48.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.004 -178.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.8 mt -115.86 117.9 57.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 120.978 0.418 . . . . 0.0 110.243 176.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -104.1 94.42 5.37 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.364 176.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.536 ' HB3' HG22 ' A' ' 9' ' ' THR . . . -95.59 91.44 6.14 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 172.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 10' ' ' ALA . 28.1 m -132.79 -175.44 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 121.723 0.773 . . . . 0.0 112.572 -168.291 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -153.62 -34.7 0.11 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.185 -1.371 . . . . 0.0 108.406 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.4 t -110.03 -172.15 1.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.548 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -77.05 152.8 34.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.076 0.465 . . . . 0.0 111.339 -177.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.6 t -115.46 134.12 59.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.65 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -84.81 -43.98 13.69 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.953 0.406 . . . . 0.0 111.047 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.477 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 92.0 m-20 -75.17 -5.62 45.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.436 -173.191 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.583 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 0.1 OUTLIER -53.43 -23.44 9.94 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.786 0.327 . . . . 0.0 111.055 178.275 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.423 ' N ' ' HD2' ' A' ' 72' ' ' LYS . 5.7 pt-20 -44.1 -43.53 6.98 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.758 176.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.632 ' HG3' HG11 ' A' ' 55' ' ' VAL . 7.0 ptp180 -81.78 -29.74 32.62 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -177.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.665 ' HZ ' HD23 ' A' ' 50' ' ' LEU . 55.4 m-85 -81.47 -23.03 37.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.701 0.286 . . . . 0.0 110.609 -178.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -63.0 121.28 13.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.915 175.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.58 -5.23 40.45 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -174.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.433 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 25.3 mtpp -109.31 -175.34 2.73 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 175.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.2 t -94.85 108.25 20.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 -177.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.545 HG12 ' HB ' ' A' ' 61' ' ' VAL . 1.4 m -123.9 152.68 29.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.313 0.577 . . . . 0.0 111.499 -175.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.8 tp -116.25 129.76 56.44 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.033 171.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -110.85 109.24 19.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.844 0.354 . . . . 0.0 110.774 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 19.6 m -125.93 163.17 41.1 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.702 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -62.5 144.27 94.37 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.34 2.027 . . . . 0.0 111.488 174.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.514 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 14.4 p -59.53 -33.52 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -176.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.7 m -74.21 -19.32 60.57 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -178.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.13 -53.95 37.06 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -174.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -68.74 -3.68 11.74 Favored 'Trans proline' 0 C--N 1.359 1.114 0 C-N-CA 122.471 2.114 . . . . 0.0 113.28 -176.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.442 HG12 ' HA ' ' A' ' 21' ' ' ALA . 68.6 mt -67.37 -45.47 85.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 174.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -96.33 -53.82 3.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.935 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.581 ' O ' HG23 ' A' ' 95' ' ' VAL . 11.5 m-20 -90.86 39.73 1.0 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.545 -173.383 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.39 -50.2 65.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.598 -176.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -60.63 -38.98 86.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -177.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -72.79 -35.91 67.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.167 -176.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 91' ' ' ASP . 67.1 t -64.67 -41.43 92.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.194 176.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.12 -46.93 95.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.588 177.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -66.73 -31.24 71.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.976 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.06 -37.29 83.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.899 178.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.7 -40.54 97.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.285 0.564 . . . . 0.0 110.109 176.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 83.5 mt -69.96 -29.85 67.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.391 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.14 -16.75 64.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.245 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 74.5 mt -84.03 -26.73 28.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.314 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.428 HG13 ' N ' ' A' ' 104' ' ' ASP . 21.3 pt -105.32 -48.7 9.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.361 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.56 ' HB3' ' HD3' ' A' ' 106' ' ' LYS . 14.9 m-20 -84.32 -32.53 24.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.785 0.326 . . . . 0.0 110.303 -177.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 56.9 31.37 19.59 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.301 -174.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.56 ' HD3' ' HB3' ' A' ' 104' ' ' ASP . 58.2 mtpt . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.402 -0.809 . . . . 0.0 110.363 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 59.2 mtmt 60.77 37.12 19.02 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.536 0.684 . . . . 0.0 110.456 -178.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.584 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 18.9 tpp180 -61.66 125.54 24.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.691 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -80.7 113.59 19.0 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.9 mt -124.79 139.53 50.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.94 -177.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.614 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -119.82 136.8 55.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 170.898 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.564 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -143.94 145.13 32.05 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.813 0.34 . . . . 0.0 111.006 -175.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.0 t -118.51 121.01 66.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.5 p -107.63 115.19 29.71 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.812 177.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.61 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . . . -138.03 146.75 43.43 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.77 0.319 . . . . 0.0 111.191 -175.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.992 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 38.6 t -163.06 134.31 4.88 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 176.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.22 -32.18 10.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.007 0.432 . . . . 0.0 110.192 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.7 p -70.62 -52.05 23.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.546 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -119.39 100.23 0.79 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.532 -177.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.0 t -58.4 -43.32 86.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.804 0.335 . . . . 0.0 111.223 -178.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.58 -30.71 69.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.351 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 56.9 m170 -65.17 -40.56 94.47 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.123 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.9 m -56.78 -42.75 79.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.067 178.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -78.56 -44.68 23.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.112 -175.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.9 tpt -60.03 -43.41 95.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.649 0.261 . . . . 0.0 111.024 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.38 -44.78 95.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.481 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.62 -40.12 92.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.065 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -65.89 -47.05 76.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.9 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.63 -44.08 97.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.964 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 25' ' ' LEU . 46.0 mt -63.05 -43.6 98.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.425 178.062 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -64.94 -31.46 72.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.363 . . . . 0.0 110.84 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -76.31 -48.04 21.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.756 0.312 . . . . 0.0 110.196 175.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.429 ' O ' ' HB3' ' A' ' 31' ' ' LYS . . . -57.27 -32.84 64.19 Favored Glycine 0 CA--C 1.517 0.212 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.94 179.028 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.49 -52.04 67.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.788 0.328 . . . . 0.0 110.982 175.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -68.78 -26.3 65.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.827 0.346 . . . . 0.0 110.673 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.429 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 26.5 tptp -62.59 -36.24 82.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.262 176.53 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.7 mtt -101.0 1.57 39.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.457 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.02 42.9 83.82 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 116.046 -0.524 . . . . 0.0 112.912 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.584 ' HB2' ' O ' ' A' ' 3' ' ' ARG . 2.2 p-10 -122.77 174.74 6.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.055 0.455 . . . . 0.0 111.069 177.512 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.8 mp -116.19 113.12 22.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.172 -176.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.9 tt -113.14 143.57 22.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.439 0.638 . . . . 0.0 111.239 -175.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.722 ' HB3' HD22 ' A' ' 50' ' ' LEU . 19.7 mmtm -115.79 104.37 11.59 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.124 -0.944 . . . . 0.0 108.515 170.194 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.564 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 7.5 p -108.64 125.88 65.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.094 0.473 . . . . 0.0 111.182 -177.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.881 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 40.1 tt0 -95.79 110.93 23.01 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.535 177.029 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.823 ' HB ' ' HB3' ' A' ' 47' ' ' GLU . 2.8 m -81.18 98.8 8.23 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.598 177.545 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.61 ' HB3' ' HB2' ' A' ' 10' ' ' ALA . 1.2 tm0? -92.08 101.33 13.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.327 0.584 . . . . 0.0 109.716 -178.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.71 55.48 4.85 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.805 -175.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 65.2 83.67 0.16 Allowed 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 123.027 0.531 . . . . 0.0 109.954 -178.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.5 m 76.18 -33.91 0.22 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.36 -178.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.36 158.31 43.56 Favored Glycine 0 C--O 1.227 -0.282 0 C-N-CA 121.05 -0.595 . . . . 0.0 111.647 176.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.6 mm -128.47 131.1 69.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 117.072 0.436 . . . . 0.0 111.027 -175.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.823 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 31.0 tt0 -94.24 -36.6 11.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.699 0.285 . . . . 0.0 111.335 177.261 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -145.65 96.86 2.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.693 -0.231 . . . . 0.0 110.817 -172.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -57.32 134.09 55.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.014 0.435 . . . . 0.0 111.452 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.881 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 33.8 mt -91.06 102.81 15.57 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.66 172.251 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.74 153.65 43.25 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.733 -174.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -58.26 -41.54 84.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.183 -174.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -58.06 -47.25 83.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.31 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.82 -35.53 81.41 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 120.789 0.328 . . . . 0.0 111.065 -176.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.807 HG11 ' HG3' ' A' ' 74' ' ' ARG . 98.3 t -65.55 -43.55 94.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.25 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -68.95 -32.93 72.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.302 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 77.0 mt -75.53 -42.99 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.498 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.03 140.84 48.09 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.776 -0.647 . . . . 0.0 113.09 179.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -83.68 -72.11 0.47 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.094 0.473 . . . . 0.0 110.624 -178.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 28.0 m -98.71 146.39 8.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.122 -176.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.639 ' HB ' HG12 ' A' ' 80' ' ' VAL . 17.2 t -111.03 121.22 63.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.699 177.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.4 mt -100.44 119.41 48.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.243 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -105.38 104.46 14.19 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.641 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.692 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -108.69 89.51 3.02 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 169.245 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.566 HG12 ' HB3' ' A' ' 10' ' ' ALA . 17.1 m -134.68 140.97 44.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.586 0.708 . . . . 0.0 112.348 -168.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.992 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 16.7 t70 -105.07 1.56 28.62 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.461 -1.245 . . . . 0.0 109.084 173.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.435 ' O ' ' HB ' ' A' ' 65' ' ' VAL . 11.5 t -153.43 172.09 17.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.053 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -73.93 175.64 7.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.936 0.398 . . . . 0.0 110.488 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.401 ' CG2' ' HB2' ' A' ' 72' ' ' LYS . 33.0 m -132.66 174.66 12.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.99 0.424 . . . . 0.0 111.442 -174.387 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 71' ' ' ASN . 1.5 ptm180 -93.44 -46.88 7.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.997 -179.296 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.529 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 93.9 m-20 -76.29 -4.27 41.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.895 -169.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.401 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 63.1 tttm -47.11 -26.06 1.01 Allowed 'General case' 0 N--CA 1.471 0.609 0 O-C-N 123.224 0.328 . . . . 0.0 111.273 176.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -46.28 -53.38 10.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.231 176.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.807 ' HG3' HG11 ' A' ' 55' ' ' VAL . 10.5 ptp180 -87.93 -25.87 22.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.05 -172.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.485 ' HE1' HG13 ' A' ' 6' ' ' ILE . 26.1 m-85 -74.64 -19.57 60.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.847 0.356 . . . . 0.0 110.964 178.115 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -67.65 115.99 7.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.896 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.5 -13.87 32.88 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 -176.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -97.66 178.91 5.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.738 0.304 . . . . 0.0 110.33 178.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 67.1 t -90.4 108.28 19.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.128 -177.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.639 HG12 ' HB ' ' A' ' 61' ' ' VAL . 1.3 m -122.58 154.4 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.112 0.482 . . . . 0.0 111.27 -178.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.0 tp -117.02 121.42 41.3 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.301 173.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -105.3 100.02 9.62 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.084 0.468 . . . . 0.0 110.762 -176.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.1 m -123.75 164.36 29.32 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.76 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.69 153.18 76.77 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.456 2.104 . . . . 0.0 112.03 176.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.692 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 15.0 p -63.19 -23.66 33.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.131 0.491 . . . . 0.0 111.597 -177.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.9 m -73.91 -19.52 60.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.702 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.14 -57.8 16.73 Favored Pre-proline 0 CA--C 1.534 0.358 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -174.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.442 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 38.3 Cg_endo -65.23 -18.3 60.62 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.227 1.951 . . . . 0.0 112.93 -175.404 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 69.6 mt -66.11 -42.43 91.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.338 0.59 . . . . 0.0 110.342 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -96.26 -45.1 6.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.042 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.828 ' HB3' ' HB2' ' A' ' 94' ' ' LYS . 19.6 m-20 -112.79 42.37 1.88 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.921 -170.211 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.678 ' O ' HG12 ' A' ' 95' ' ' VAL . . . -53.38 -44.03 68.29 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -178.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -69.47 -30.9 68.89 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.652 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.828 ' HB2' ' HB3' ' A' ' 91' ' ' ASP . 0.8 OUTLIER -73.87 -43.11 59.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.041 0.448 . . . . 0.0 110.154 -179.769 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.678 HG12 ' O ' ' A' ' 92' ' ' ALA . 4.1 p -63.2 -37.44 79.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.37 -177.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.527 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 75.3 mt -65.25 -51.48 64.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.46 176.009 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -59.35 -41.19 88.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.961 0.41 . . . . 0.0 111.0 177.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.2 89.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.051 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.04 -38.33 85.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.407 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 71.5 mt -67.26 -31.71 72.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.646 178.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.7 -23.55 66.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.198 177.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.23 -29.03 66.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.578 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 35.0 pt -101.21 6.34 9.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.304 0.573 . . . . 0.0 109.576 172.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 22.4 t70 59.72 40.53 19.65 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.964 178.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 56.09 63.76 1.92 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.057 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp . . . . . 0 C--O 1.248 1.015 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.768 179.409 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.8 mmt . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.52 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -70.94 92.51 0.92 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.749 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -74.79 146.88 41.73 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 -178.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.786 ' HB2' ' HG3' ' A' ' 59' ' ' GLU . 39.5 mmtm -96.66 118.73 33.76 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -176.229 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.572 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 62.1 mt -134.9 138.35 49.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.923 0.392 . . . . 0.0 110.884 -177.49 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.696 HD11 HG22 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -122.89 136.36 59.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 171.599 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -135.97 143.92 45.11 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.663 -175.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.475 ' HB ' ' CD1' ' A' ' 63' ' ' PHE . 58.4 t -122.58 132.3 71.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 177.095 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.599 HG22 ' HB3' ' A' ' 64' ' ' ALA . 17.3 p -116.62 128.14 55.11 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.089 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.13 96.42 1.32 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.761 0.315 . . . . 0.0 111.495 -176.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.733 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 46.9 t -118.09 129.63 55.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.72 0.295 . . . . 0.0 110.272 178.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.36 -16.44 22.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.939 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.1 m -69.58 -51.93 30.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.176 0.512 . . . . 0.0 110.3 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.48 112.56 0.65 Allowed Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.702 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.0 m -62.51 -28.13 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -176.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.69 -34.01 75.0 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.996 0.427 . . . . 0.0 110.851 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -70.99 -33.59 70.56 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.276 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.543 HG22 HG23 ' A' ' 40' ' ' THR . 15.8 m -63.17 -43.23 98.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.8 179.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -65.32 -40.53 93.86 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.82 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.479 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 24.7 ttt -75.06 -37.89 61.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.564 -175.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.92 -39.43 85.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.968 0.413 . . . . 0.0 110.45 178.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.98 -47.79 76.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.254 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 20' ' ' MET . 12.9 pt20 -72.47 -29.72 63.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.086 -176.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.424 ' O ' ' HB3' ' A' ' 27' ' ' LYS . . . -74.07 -40.41 62.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.783 0.325 . . . . 0.0 110.737 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.9 mt -63.07 -42.8 99.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.573 174.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -65.31 -34.79 79.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.844 177.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 24' ' ' ALA . 24.1 tttm -56.99 -55.79 30.07 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.953 173.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.53 -40.4 99.07 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.624 -176.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.55 -48.53 74.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.616 0.246 . . . . 0.0 111.094 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -69.76 -25.54 63.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.5 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -60.36 -32.52 71.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.319 0.581 . . . . 0.0 110.164 174.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.543 ' HB2' ' ND2' ' A' ' 34' ' ' ASN . 86.9 mmm -100.11 4.92 44.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.423 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.459 ' O ' ' HG3' ' A' ' 2' ' ' LYS . . . 71.45 28.01 70.39 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.743 -0.662 . . . . 0.0 113.034 178.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.543 ' ND2' ' HB2' ' A' ' 32' ' ' MET . 86.8 m-20 -88.42 169.45 11.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.244 0.545 . . . . 0.0 111.526 -176.538 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.52 ' HG ' ' HB3' ' A' ' 2' ' ' LYS . 72.3 mt -110.19 119.03 37.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.475 -0.784 . . . . 0.0 108.916 178.003 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.572 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 16.5 tt -136.57 139.28 45.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.184 0.516 . . . . 0.0 111.751 -172.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -116.09 109.71 17.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.567 173.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.9 t -101.54 119.02 49.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.062 -176.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.465 ' HB3' HG22 ' A' ' 8' ' ' VAL . 35.8 tt0 -94.49 153.36 17.95 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.071 174.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.543 HG23 HG22 ' A' ' 18' ' ' THR . 61.6 m -132.06 131.91 42.86 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.769 176.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.537 ' HG3' HG12 ' A' ' 46' ' ' ILE . 1.6 tm0? -129.06 131.48 47.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.918 0.39 . . . . 0.0 110.082 -179.249 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -106.03 69.6 0.23 Allowed Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.173 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 73.95 -42.12 0.5 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.708 0.803 . . . . 0.0 112.138 174.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.2 t -149.85 -21.01 0.26 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.049 0.452 . . . . 0.0 110.605 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.47 111.13 4.15 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.593 -0.813 . . . . 0.0 111.444 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.537 HG12 ' HG3' ' A' ' 41' ' ' GLN . 44.6 mt -91.72 127.0 44.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 -178.233 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -73.37 -63.57 1.16 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.993 0.425 . . . . 0.0 111.332 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.424 ' HB3' ' HG3' ' A' ' 39' ' ' GLU . 47.7 t30 -87.4 -52.72 5.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.673 -174.056 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.44 ' HA ' HD21 ' A' ' 71' ' ' ASN . 4.5 tm-20 64.75 83.93 0.16 Allowed 'General case' 0 C--O 1.233 0.22 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -170.184 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.591 HD21 ' HB ' ' A' ' 6' ' ' ILE . 11.9 tp -65.09 110.5 2.53 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.952 -172.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.9 p -68.35 163.89 22.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.853 -175.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -62.83 -35.52 80.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.5 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.51 ' O ' HG13 ' A' ' 57' ' ' ILE . 67.8 mttm -63.79 -42.42 97.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.098 179.476 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -66.29 -46.85 75.56 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.448 0.642 . . . . 0.0 109.95 175.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.022 HG11 ' HB3' ' A' ' 74' ' ' ARG . 29.6 t -56.73 -47.06 83.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.835 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -71.98 -8.99 57.69 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -175.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 53' ' ' LYS . 78.2 mt -81.92 -49.51 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 172.262 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.564 ' HA3' HG23 ' A' ' 6' ' ' ILE . . . -65.63 138.94 38.48 Favored Glycine 0 C--N 1.331 0.254 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.749 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.786 ' HG3' ' HB2' ' A' ' 4' ' ' LYS . 27.3 mt-10 -89.03 -63.29 1.31 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.976 0.417 . . . . 0.0 110.275 -178.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.3 m -95.99 147.96 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.999 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.696 HG22 HD11 ' A' ' 6' ' ' ILE . 19.9 t -116.26 129.96 71.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.408 -178.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.7 mt -115.95 124.45 72.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.256 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.62 ' HB2' ' HG2' ' A' ' 82' ' ' GLU . 45.6 m-85 -108.42 107.75 18.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.906 176.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.605 ' HB2' ' HG3' ' A' ' 88' ' ' PRO . . . -96.89 89.59 4.92 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 168.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.7 m -138.23 154.44 27.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 121.705 0.764 . . . . 0.0 112.668 -167.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.733 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 19.3 t70 -113.42 -27.22 7.99 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.082 -1.417 . . . . 0.0 108.476 170.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.4 t -121.03 174.84 6.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.936 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.9 167.61 14.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.77 0.319 . . . . 0.0 110.769 -176.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.402 ' CG2' ' HB2' ' A' ' 72' ' ' LYS . 14.8 m -131.57 168.74 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.136 -179.021 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.51 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 40.9 ttm180 -92.86 -46.52 7.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.812 0.339 . . . . 0.0 111.423 179.231 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.44 HD21 ' HA ' ' A' ' 49' ' ' GLU . 55.8 m-20 -65.99 -5.73 10.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.926 -172.009 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.529 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 55.0 tttp -46.95 -27.91 1.44 Allowed 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.43 172.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 18.6 mt-10 -46.77 -52.71 13.46 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.645 0.736 . . . . 0.0 110.929 177.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 1.022 ' HB3' HG11 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -59.3 -33.98 71.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.613 -1.176 . . . . 0.0 112.911 -175.514 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.529 ' HD2' ' HA ' ' A' ' 72' ' ' LYS . 21.1 m-85 -83.93 -9.42 58.71 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.768 -171.063 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -63.36 -30.17 71.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.154 0.502 . . . . 0.0 110.621 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -80.67 -8.05 87.92 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.781 -0.645 . . . . 0.0 113.112 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.447 ' HB3' ' H ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -121.33 -154.68 0.6 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.735 0.268 . . . . 0.0 110.879 -178.212 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.699 HG11 ' HB3' ' A' ' 102' ' ' LEU . 45.5 t -110.95 126.73 68.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.661 0.267 . . . . 0.0 110.294 -175.202 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 62.1 t -119.25 138.31 50.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.303 -174.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -128.74 101.42 6.11 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 174.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.62 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 44.6 mt-10 -91.9 141.63 28.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.047 -177.399 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.0 m -139.91 162.5 50.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.612 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.05 147.17 91.52 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.25 1.967 . . . . 0.0 110.473 170.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.563 HG21 ' HB2' ' A' ' 11' ' ' CYS . 10.7 p -63.84 -28.25 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 -172.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.8 p -75.31 -24.2 57.43 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.435 ' N ' ' HD2' ' A' ' 88' ' ' PRO . . . -61.39 -53.5 61.66 Favored Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -173.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.605 ' HG3' ' HB2' ' A' ' 64' ' ' ALA . 40.8 Cg_endo -65.63 -6.27 13.46 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 122.255 1.97 . . . . 0.0 113.235 -176.413 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 67.0 mt -80.88 -42.14 20.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.145 0.497 . . . . 0.0 110.204 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -96.44 -24.77 15.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.612 -178.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.562 ' O ' HG23 ' A' ' 95' ' ' VAL . 14.8 t70 -125.04 27.41 6.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.238 -168.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 88' ' ' PRO . . . -52.67 -52.89 53.89 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -172.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -63.43 -37.55 87.7 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.776 0.322 . . . . 0.0 111.336 -177.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.428 ' HB3' ' CG ' ' A' ' 91' ' ' ASP . 28.8 tptp -73.39 -39.54 65.03 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.21 -176.104 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 91' ' ' ASP . 85.4 t -61.94 -42.75 95.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.722 176.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.581 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 75.9 mt -64.36 -43.58 97.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.985 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -67.66 -29.19 68.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 177.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.31 -43.38 70.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.41 176.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.79 -37.44 79.1 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.405 176.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 92.3 mt -62.3 -29.07 70.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.998 178.285 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.511 ' O ' ' HA ' ' A' ' 105' ' ' GLU . . . -66.32 -16.05 63.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.813 0.34 . . . . 0.0 111.457 -179.015 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.699 ' HB3' HG11 ' A' ' 79' ' ' VAL . 4.1 mm? -83.32 -30.23 27.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.735 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 25.6 pt -107.28 -40.26 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 120.757 0.313 . . . . 0.0 111.776 -178.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.671 ' HB3' ' HE2' ' A' ' 106' ' ' LYS . 1.1 m-20 -83.85 -32.34 25.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.168 177.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.511 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 44.6 mt-10 64.81 14.54 9.25 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.166 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.671 ' HE2' ' HB3' ' A' ' 104' ' ' ASP . 43.0 mtmt . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.59 -0.719 . . . . 0.0 110.389 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.8 ttm . . . . . 0 N--CA 1.484 1.244 0 CA-C-O 120.432 0.158 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp 58.85 34.43 23.68 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.23 0.538 . . . . 0.0 111.607 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.689 ' HE ' ' HG3' ' A' ' 59' ' ' GLU . 13.8 tpt180 -94.87 145.6 24.79 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 177.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.568 ' HD2' ' HB2' ' A' ' 35' ' ' LEU . 14.6 mmmm -81.82 123.56 28.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.982 0.42 . . . . 0.0 110.74 -178.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.415 HG23 HG23 ' A' ' 60' ' ' VAL . 66.2 mt -122.1 131.97 72.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.922 177.247 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.713 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -105.26 126.58 60.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 174.39 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.549 ' HA ' ' O ' ' A' ' 62' ' ' ILE . . . -135.89 140.96 44.49 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.57 -177.048 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.527 HG22 ' HB3' ' A' ' 39' ' ' GLU . 53.3 t -124.97 124.77 68.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.071 0.463 . . . . 0.0 111.019 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.638 HG22 ' HB3' ' A' ' 64' ' ' ALA . 29.1 p -107.64 112.39 25.08 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 174.111 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.578 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . . . -131.09 97.21 4.23 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.932 0.396 . . . . 0.0 111.427 -173.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.835 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 47.0 t -112.91 130.45 56.11 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.466 ' HB2' ' HB ' ' A' ' 67' ' ' THR . . . -92.62 -56.84 2.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.912 0.387 . . . . 0.0 110.398 -178.263 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.0 p -98.64 106.07 18.3 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.255 177.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.85 69.65 0.48 Allowed Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -175.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 m -63.22 -18.27 21.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -176.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.99 -34.52 68.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.011 0.434 . . . . 0.0 110.314 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -64.95 -39.14 93.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.204 177.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.552 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 2.2 m -56.17 -50.73 70.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.435 -177.309 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -80.1 -35.99 36.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.206 -176.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.7 tpt -68.35 -42.43 79.25 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.619 -0.433 . . . . 0.0 111.185 -177.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.3 -44.49 95.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.702 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.67 99.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.158 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -66.34 -49.26 67.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.33 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.7 -42.74 90.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.986 0.422 . . . . 0.0 111.094 -177.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.7 tp -61.76 -47.11 86.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.948 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -64.61 -41.04 96.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.663 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -66.73 -37.9 85.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.37 -38.4 94.92 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.879 -0.676 . . . . 0.0 112.096 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.484 ' HA ' HD13 ' A' ' 96' ' ' ILE . . . -71.24 -39.19 71.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.74 0.305 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -69.65 -25.78 64.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.491 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -60.8 -27.88 68.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.171 0.51 . . . . 0.0 110.325 176.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.5 mmt -99.82 12.14 37.47 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.68 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.03 55.11 29.96 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.538 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -122.92 167.09 14.01 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.719 0.295 . . . . 0.0 110.583 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.568 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 91.9 mt -112.94 94.16 4.77 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.3 tt -105.31 143.05 17.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.708 -176.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.44 ' HB3' HD22 ' A' ' 50' ' ' LEU . 61.1 mmtt -115.51 105.17 12.49 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.163 174.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.9 t -97.09 120.87 46.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.644 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.636 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 35.3 tt0 -95.66 134.6 38.38 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 176.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.941 ' HB ' ' HB2' ' A' ' 47' ' ' GLU . 13.7 m -112.89 93.31 4.36 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 120.978 0.418 . . . . 0.0 110.329 -176.272 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.578 ' HB3' ' HB2' ' A' ' 10' ' ' ALA . 53.0 tt0 -90.19 106.44 18.49 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.212 0.53 . . . . 0.0 110.69 -177.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.33 68.98 3.22 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.273 176.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.525 ' HA ' HG21 ' A' ' 67' ' ' THR . . . 70.82 -77.09 0.06 Allowed 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 123.546 0.739 . . . . 0.0 111.051 179.436 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.7 m -106.0 -28.67 10.41 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.903 0.383 . . . . 0.0 110.557 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -87.05 159.42 31.27 Favored Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 -177.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 77.0 mt -131.3 115.56 29.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 117.006 0.403 . . . . 0.0 111.311 -176.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.941 ' HB2' ' HB ' ' A' ' 40' ' ' THR . 60.8 mm-40 -84.66 140.98 30.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.779 172.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.445 ' HB3' ' O ' ' A' ' 47' ' ' GLU . 37.4 t30 76.18 -62.21 0.43 Allowed 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.971 0.795 . . . . 0.0 111.358 176.17 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 66.6 110.42 0.04 OUTLIER 'General case' 0 C--O 1.235 0.33 0 O-C-N 123.749 0.656 . . . . 0.0 110.953 -177.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.636 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 65.4 mt -64.74 119.79 11.25 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.343 -176.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.39 147.99 48.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.344 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -57.04 -41.28 78.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.597 -177.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -60.36 -41.48 93.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.168 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -72.16 -38.57 69.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.095 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.511 ' HA ' HG21 ' A' ' 6' ' ' ILE . 57.3 t -61.75 -45.06 99.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.643 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -75.08 -28.11 60.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.787 -175.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.2 mm -87.35 -29.49 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.948 0.404 . . . . 0.0 110.637 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.01 130.31 50.83 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.385 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.689 ' HG3' ' HE ' ' A' ' 3' ' ' ARG . 7.2 mm-40 -81.43 -72.5 0.42 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.113 0.482 . . . . 0.0 110.983 -177.297 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.713 ' HA ' HG13 ' A' ' 79' ' ' VAL . 22.2 m -95.14 144.27 10.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.644 -176.208 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.572 HG22 HD11 ' A' ' 6' ' ' ILE . 11.6 t -110.23 118.8 57.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.954 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.549 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 77.6 mt -108.2 133.79 52.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.463 -178.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.593 ' HB2' ' HG3' ' A' ' 82' ' ' GLU . 79.5 m-85 -123.51 134.29 53.9 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.96 0.41 . . . . 0.0 110.902 176.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.664 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -129.74 92.12 3.27 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 172.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.574 HG12 ' HB3' ' A' ' 10' ' ' ALA . 28.4 m -130.99 150.51 34.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -166.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.835 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 7.0 t70 -106.17 -31.35 8.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 113.983 -1.462 . . . . 0.0 108.805 173.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.525 HG21 ' HA ' ' A' ' 43' ' ' ALA . 15.0 t -118.09 -171.55 2.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.174 178.127 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -78.66 167.22 21.55 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.355 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.763 ' HB ' ' HB2' ' A' ' 72' ' ' LYS . 18.1 t -114.0 140.03 36.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -177.457 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -81.75 -56.84 3.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.247 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.496 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 89.2 m-20 -74.69 -7.13 52.32 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -175.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.763 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 85.6 tttt -52.86 -27.38 18.16 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.928 0.395 . . . . 0.0 111.323 179.411 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -52.1 -34.44 44.12 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -178.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 71' ' ' ASN . 9.9 ptp180 -81.37 -7.58 59.6 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -175.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.615 ' CE1' HG13 ' A' ' 6' ' ' ILE . 30.9 m-85 -98.16 20.99 11.46 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 122.199 -0.313 . . . . 0.0 110.776 177.131 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -56.34 -42.0 77.02 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.614 -175.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -104.73 15.42 48.92 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.771 -178.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.561 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 26.2 mtpp -107.29 162.35 13.98 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -177.214 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.713 HG13 ' HA ' ' A' ' 60' ' ' VAL . 3.2 p -74.44 117.03 17.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.289 0.566 . . . . 0.0 110.656 -175.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 85.1 t -108.88 121.53 62.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.841 -172.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.634 HD23 HD11 ' A' ' 102' ' ' LEU . 3.2 tm? -119.02 109.45 15.95 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 173.217 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.593 ' HG3' ' HB2' ' A' ' 63' ' ' PHE . 34.4 tt0 -115.17 132.08 56.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.11 -174.171 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 24.2 m -135.14 167.28 23.45 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.911 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.407 ' HD2' ' HB ' ' A' ' 83' ' ' VAL . 35.0 Cg_exo -61.06 153.1 66.73 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.473 2.115 . . . . 0.0 111.529 174.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.664 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 9.0 p -66.74 -24.26 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.132 0.492 . . . . 0.0 111.255 -174.648 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 p -75.45 -22.81 57.01 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.412 ' N ' ' HD2' ' A' ' 88' ' ' PRO . . . -65.61 -52.24 45.06 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -171.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 87' ' ' ALA . 59.3 Cg_endo -69.54 -3.7 12.38 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.133 1.888 . . . . 0.0 113.458 -173.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 64.2 mt -72.58 -44.48 60.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.411 0.624 . . . . 0.0 109.7 176.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -97.25 -49.42 4.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.151 177.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.589 ' O ' HG23 ' A' ' 95' ' ' VAL . 5.1 m-20 -95.66 36.35 1.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.961 -171.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.15 -49.17 67.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.595 0.236 . . . . 0.0 111.299 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -64.92 -36.06 83.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.809 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.565 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 17.7 tppt? -65.9 -45.09 83.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.132 -179.14 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 91' ' ' ASP . 57.8 t -61.31 -45.19 99.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.842 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.484 HD13 ' HA ' ' A' ' 29' ' ' ALA . 79.5 mt -64.15 -50.56 76.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.742 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -59.72 -41.78 91.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.036 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.548 ' O ' ' HG ' ' A' ' 102' ' ' LEU . . . -60.71 -39.49 88.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.074 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.25 -48.93 77.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.805 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.17 -31.37 71.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.031 0.443 . . . . 0.0 110.735 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.898 ' HA ' ' HA ' ' A' ' 105' ' ' GLU . . . -66.45 -17.85 65.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.624 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.634 HD11 HD23 ' A' ' 81' ' ' LEU . 85.4 mt -80.04 -19.32 47.89 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.703 0.287 . . . . 0.0 111.373 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 28.4 pt -117.29 -41.13 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -177.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -119.1 -21.75 7.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.604 0.24 . . . . 0.0 111.5 -175.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.898 ' HA ' ' HA ' ' A' ' 101' ' ' ALA . 39.2 mt-10 66.91 87.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.576 -176.047 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.478 ' HD2' ' HA ' ' A' ' 106' ' ' LYS . 7.6 tptp . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.203 -0.903 . . . . 0.0 109.771 172.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.3 ttm . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.831 0.348 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.631 ' HE2' HD21 ' A' ' 35' ' ' LEU . 56.3 mtpt 52.1 78.04 0.14 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.133 -175.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.463 ' HD2' ' HA ' ' A' ' 3' ' ' ARG . 13.0 tpt180 -88.18 169.45 11.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.657 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -111.26 125.99 54.41 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -178.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 66.8 mt -137.14 131.75 46.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.641 0.258 . . . . 0.0 111.314 -178.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.634 ' HB ' HD13 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -110.78 130.24 64.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 171.401 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.55 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -142.06 126.54 17.78 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.798 0.332 . . . . 0.0 111.15 -174.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.403 ' HA ' ' HB3' ' A' ' 39' ' ' GLU . 38.8 t -95.89 118.16 41.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.024 177.519 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.498 HG22 ' HB3' ' A' ' 64' ' ' ALA . 19.4 p -117.34 113.77 22.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.915 178.09 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.627 ' O ' ' HA ' ' A' ' 65' ' ' VAL . . . -160.04 160.66 33.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.849 0.357 . . . . 0.0 111.096 -176.288 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.648 ' SG ' ' HB2' ' A' ' 17' ' ' HIS . 24.9 p -157.83 142.16 16.13 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.314 178.184 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.521 ' HB2' ' HB ' ' A' ' 67' ' ' THR . . . -90.54 -32.46 16.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.256 0.551 . . . . 0.0 109.837 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.5 p -111.87 133.85 53.8 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.1 175.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.18 58.66 5.01 Favored Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -175.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.1 m -59.98 -16.95 12.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -169.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.46 -26.56 66.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.93 0.395 . . . . 0.0 110.909 176.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.648 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 37.0 m80 -64.64 -36.65 84.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.066 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.602 HG23 ' HA ' ' A' ' 10' ' ' ALA . 27.3 m -57.91 -37.87 74.82 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 121.096 0.474 . . . . 0.0 111.255 -177.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -90.69 -43.87 9.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.813 -174.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.4 tpt -64.67 -42.05 95.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 -178.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.457 ' HB1' ' HG2' ' A' ' 88' ' ' PRO . . . -63.51 -47.07 83.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.309 -177.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.58 -41.96 95.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.408 -178.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -71.47 -42.15 68.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.382 -178.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.66 -39.1 80.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.968 0.413 . . . . 0.0 110.382 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.5 tp -64.62 -40.21 95.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.781 175.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -59.05 -43.71 91.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.01 175.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -59.57 -47.42 85.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.62 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.74 -43.31 99.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.959 178.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.7 -37.88 89.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.924 0.392 . . . . 0.0 110.92 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -65.89 -38.92 90.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.288 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -65.58 -49.81 67.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.845 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 85.7 mtp -70.15 -24.37 63.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.539 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 2' ' ' LYS . . . 83.56 62.59 1.77 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.44 175.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.533 ' HA ' ' HA ' ' A' ' 2' ' ' LYS . 2.9 p-10 -135.55 177.3 7.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.731 0.3 . . . . 0.0 110.589 176.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.631 HD21 ' HE2' ' A' ' 2' ' ' LYS . 2.8 mm? -107.47 109.96 21.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.367 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.6 tt -114.93 141.21 32.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 121.338 0.589 . . . . 0.0 111.308 -175.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.483 ' HB3' HD22 ' A' ' 50' ' ' LEU . 7.0 mmtm -115.8 101.66 9.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.391 175.408 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.55 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 15.2 m -93.91 127.23 46.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.111 0.481 . . . . 0.0 110.831 -179.169 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.521 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 28.5 tt0 -95.32 146.51 24.32 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.853 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.6 m -127.07 119.55 26.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.757 -174.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -124.14 136.96 54.58 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.36 -60.21 1.94 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.349 -0.929 . . . . 0.0 111.961 177.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -143.29 -39.42 0.32 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.964 0.411 . . . . 0.0 110.258 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.2 t -148.95 -18.64 0.3 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.506 175.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.79 130.05 10.12 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.015 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 68.2 mt -99.71 127.54 52.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -92.98 -54.51 3.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.485 -177.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -95.77 74.67 3.15 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -65.82 124.6 22.89 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.558 -176.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.634 HD13 ' HB ' ' A' ' 6' ' ' ILE . 73.2 mt -80.61 111.26 16.88 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 174.346 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.54 ' O ' HG23 ' A' ' 55' ' ' VAL . 75.9 p -91.19 173.77 7.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.511 -174.226 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -48.71 -46.14 40.31 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.589 0.556 . . . . 0.0 110.982 -178.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.546 ' O ' HG12 ' A' ' 57' ' ' ILE . 5.4 tmmm? -57.67 -50.52 72.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.036 -179.062 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -63.44 -45.05 92.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.384 0.612 . . . . 0.0 110.528 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 51' ' ' THR . 89.7 t -61.21 -42.32 92.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 114.922 -1.035 . . . . 0.0 112.13 -174.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -78.13 -20.5 51.99 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.795 0.295 . . . . 0.0 111.795 -176.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.546 HG12 ' O ' ' A' ' 53' ' ' LYS . 42.6 mm -80.52 -42.51 21.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 176.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.43 135.56 42.16 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.859 -0.61 . . . . 0.0 113.133 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -76.91 -64.58 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.231 0.539 . . . . 0.0 110.141 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.419 HG13 HD13 ' A' ' 103' ' ' ILE . 17.7 m -107.53 151.76 9.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.036 -177.126 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.632 ' HB ' HG12 ' A' ' 80' ' ' VAL . 8.4 t -115.04 114.42 46.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.193 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 69.8 mt -100.41 131.79 47.28 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.08 179.359 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.402 ' HB2' ' HG2' ' A' ' 82' ' ' GLU . 73.3 m-85 -115.01 111.67 21.49 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.639 178.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.674 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -118.38 90.21 3.29 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 172.04 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.627 ' HA ' ' O ' ' A' ' 10' ' ' ALA . 12.3 m -141.32 141.07 31.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.469 0.652 . . . . 0.0 112.736 -169.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.551 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 9.8 t70 -97.33 -20.24 17.98 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.944 -1.026 . . . . 0.0 108.84 170.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.521 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 4.2 t -111.89 154.38 25.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.445 177.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -78.03 160.81 27.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.131 0.491 . . . . 0.0 110.678 -176.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.481 HG23 ' HB2' ' A' ' 72' ' ' LYS . 21.6 m -118.66 153.28 20.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.562 -178.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.514 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 15.7 ttt180 -90.99 -44.14 9.51 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.218 174.043 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.49 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 96.5 m-20 -60.16 -7.74 2.06 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -170.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.493 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 26.2 ttpp -51.39 -24.16 4.53 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 122.514 0.326 . . . . 0.0 110.6 174.249 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 12.3 mt-10 -41.16 -47.48 3.27 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.283 0.633 . . . . 0.0 111.656 175.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.517 ' HG3' HG11 ' A' ' 55' ' ' VAL . 6.4 ptp180 -87.9 -25.67 23.13 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.675 -173.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.493 ' HD2' ' HA ' ' A' ' 72' ' ' LYS . 23.8 m-85 -84.7 -10.59 57.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.679 0.276 . . . . 0.0 110.94 178.075 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.95 -27.51 66.85 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.57 -176.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.43 22.08 31.5 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.071 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.479 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 28.8 mtpp -122.9 178.4 5.06 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -178.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 44.8 t -90.22 111.63 23.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.632 HG12 ' HB ' ' A' ' 61' ' ' VAL . 2.4 m -117.77 161.84 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.208 0.528 . . . . 0.0 111.157 -176.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.557 HD23 HD11 ' A' ' 102' ' ' LEU . 3.1 tm? -143.43 115.49 8.36 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 176.072 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.402 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 45.1 mt-10 -97.16 133.52 41.69 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.99 0.424 . . . . 0.0 111.313 -176.052 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 12.4 m -140.01 163.28 45.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.091 177.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -60.79 146.16 97.83 Favored 'Trans proline' 0 CA--C 1.527 0.138 0 C-N-CA 122.451 2.1 . . . . 0.0 111.15 173.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.674 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 13.0 p -63.67 -26.43 40.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-O 121.032 0.444 . . . . 0.0 111.498 -176.492 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.7 m -74.96 -19.75 59.97 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.405 ' N ' ' HD2' ' A' ' 88' ' ' PRO . . . -63.15 -53.65 52.51 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -174.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.566 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 41.0 Cg_endo -66.94 -6.37 15.71 Favored 'Trans proline' 0 C--N 1.357 1.014 0 C-N-CA 122.057 1.838 . . . . 0.0 113.002 -177.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 70.4 mt -72.29 -49.59 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.974 0.416 . . . . 0.0 110.134 176.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -96.4 -40.63 9.01 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.579 -178.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.444 ' O ' HG23 ' A' ' 95' ' ' VAL . 38.2 t0 -123.08 40.7 3.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.385 0.612 . . . . 0.0 111.115 -166.134 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 88' ' ' PRO . . . -54.43 -41.45 69.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.2 -177.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.71 -41.26 98.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.784 -174.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -69.3 -36.07 76.65 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.113 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 91' ' ' ASP . 57.7 t -61.42 -43.33 96.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.384 177.296 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 85.0 mt -62.9 -47.37 93.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.817 177.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -61.47 -38.98 89.25 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.951 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.79 -40.08 82.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.928 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.03 -39.43 79.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.682 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.76 -31.76 72.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.783 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.599 ' HA ' ' HA ' ' A' ' 105' ' ' GLU . . . -69.06 -17.65 63.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.453 179.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.557 HD11 HD23 ' A' ' 81' ' ' LEU . 86.9 mt -83.18 -25.8 31.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.716 0.293 . . . . 0.0 111.171 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.419 HD13 HG13 ' A' ' 60' ' ' VAL . 25.9 pt -101.92 -46.2 11.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -177.248 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.42 ' OD2' ' HG3' ' A' ' 106' ' ' LYS . 21.0 t70 -117.82 -16.23 9.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.868 0.366 . . . . 0.0 111.146 -174.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.599 ' HA ' ' HA ' ' A' ' 101' ' ' ALA . 34.8 mt-10 65.13 53.82 1.3 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.794 -174.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.42 ' HG3' ' OD2' ' A' ' 104' ' ' ASP . 54.5 mttp . . . . . 0 C--O 1.242 0.674 0 CA-C-O 118.546 -0.74 . . . . 0.0 109.654 172.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.8 mtp . . . . . 0 N--CA 1.483 1.216 0 CA-C-O 120.772 0.32 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.609 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 55.2 mttp -71.37 98.89 1.86 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.31 -179.141 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.1 148.26 36.16 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 176.191 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -92.21 118.93 31.35 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.405 HG12 ' CG2' ' A' ' 60' ' ' VAL . 53.3 mt -127.0 126.75 68.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.136 -176.177 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.665 HG13 ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -106.22 123.27 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 171.29 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.474 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -130.87 138.43 49.82 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 -174.487 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.7 t -120.58 119.62 60.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.967 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.632 HG22 ' HB3' ' A' ' 64' ' ' ALA . 17.6 p -102.98 120.32 40.43 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.111 176.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.688 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . . . -137.14 161.16 36.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.764 -175.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 1.017 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 45.0 t -154.86 152.41 29.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.225 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.609 ' HB2' ' HB ' ' A' ' 67' ' ' THR . . . -111.92 -17.27 12.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.952 0.406 . . . . 0.0 110.789 178.176 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 p -100.07 -87.08 0.37 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.372 -177.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.13 112.94 4.49 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.499 177.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 49.9 t -58.43 -34.15 49.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.716 0.293 . . . . 0.0 111.48 -175.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.84 -21.59 57.06 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -177.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -63.87 -29.3 70.5 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 121.175 -0.21 . . . . 0.0 111.156 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.1 p -62.28 -52.64 62.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.928 0.394 . . . . 0.0 110.962 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -59.93 -45.66 91.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.871 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.8 ttt -59.03 -47.31 85.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.974 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.654 ' HA ' HG12 ' A' ' 89' ' ' ILE . . . -61.41 -46.91 88.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.525 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.14 -46.43 88.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.362 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -63.52 -47.9 79.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.492 -178.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.457 ' O ' ' HB3' ' A' ' 27' ' ' LYS . . . -68.95 -38.57 79.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.014 0.435 . . . . 0.0 110.988 -177.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.9 tp -64.52 -46.97 80.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.829 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -66.27 -28.83 69.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.441 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 24' ' ' ALA . 53.1 tptt -57.42 -50.72 72.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.368 175.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.6 -36.58 92.62 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.281 -178.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.7 95.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.672 0.272 . . . . 0.0 110.836 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -69.75 -34.86 74.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.949 0.404 . . . . 0.0 110.374 178.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.1 tttm -60.39 -37.6 81.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.978 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 79.0 mtm -96.97 -14.97 21.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.505 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.57 52.82 2.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 0.0 113.11 176.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.583 ' HA ' ' HA ' ' A' ' 2' ' ' LYS . 51.2 m-80 -119.91 172.2 7.89 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.754 0.311 . . . . 0.0 110.668 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.609 ' HG ' ' HB3' ' A' ' 2' ' ' LYS . 90.3 mt -112.71 115.15 28.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.922 178.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.0 tt -127.11 139.38 52.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.261 0.553 . . . . 0.0 110.994 -175.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -115.43 102.13 9.54 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.786 175.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 16.4 t -99.82 124.22 53.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.498 -178.411 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.787 ' HG3' ' H ' ' A' ' 49' ' ' GLU . 26.8 tt0 -95.56 141.8 28.64 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.215 175.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.468 ' HB ' ' HB3' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -96.81 98.42 10.12 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 177.683 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.688 ' HB3' ' HB2' ' A' ' 10' ' ' ALA . 3.4 tt0 -95.11 90.02 5.76 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 177.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.31 -70.38 1.0 Allowed Glycine 0 C--N 1.33 0.228 0 CA-C-N 114.72 -1.127 . . . . 0.0 113.359 -167.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -129.29 69.11 1.41 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.1 m 62.97 17.98 10.51 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.785 0.802 . . . . 0.0 109.713 -174.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.481 ' O ' ' HA ' ' A' ' 41' ' ' GLN . . . -126.09 154.53 18.9 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.255 -178.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.659 HD11 ' HB2' ' A' ' 70' ' ' ARG . 22.5 mm -92.16 140.57 15.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -170.265 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.468 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 19.1 tt0 -117.47 -62.06 1.62 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.04 0.447 . . . . 0.0 110.475 172.006 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.607 ' HB3' ' HA ' ' A' ' 39' ' ' GLU . 7.4 t30 -74.98 -49.72 19.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.418 -175.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.787 ' H ' ' HG3' ' A' ' 39' ' ' GLU . 38.1 tt0 71.74 123.12 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 O-C-N 124.07 0.856 . . . . 0.0 111.772 -178.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.464 HD13 ' HB ' ' A' ' 6' ' ' ILE . 81.3 mt -95.98 116.4 28.88 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.45 174.306 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.487 ' O ' HG23 ' A' ' 55' ' ' VAL . 82.3 p -77.27 171.79 14.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.93 -175.242 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.495 ' OE2' ' HG2' ' A' ' 53' ' ' LYS . 0.9 OUTLIER -56.92 -45.17 82.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 -179.158 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.495 ' HG2' ' OE2' ' A' ' 52' ' ' GLU . 32.1 mmtm -53.06 -53.56 48.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.351 175.039 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -53.2 -48.0 68.44 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 -178.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 51' ' ' THR . 89.0 t -59.81 -44.56 94.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.015 -177.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -83.35 -14.6 52.5 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.645 0.259 . . . . 0.0 111.648 -175.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 53' ' ' LYS . 88.4 mt -84.24 -47.41 17.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 173.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.533 ' HA3' HG23 ' A' ' 6' ' ' ILE . . . -59.79 131.96 50.93 Favored Glycine 0 C--N 1.332 0.329 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.451 178.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -90.1 -56.16 3.33 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.776 0.322 . . . . 0.0 110.278 -176.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.535 ' HA ' HG13 ' A' ' 79' ' ' VAL . 22.1 m -101.57 144.33 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.736 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.59 HG22 HD11 ' A' ' 6' ' ' ILE . 39.5 t -109.57 125.37 66.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.954 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.3 mt -116.71 119.72 62.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.866 0.365 . . . . 0.0 110.38 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -106.74 110.04 22.11 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.983 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.682 ' HB2' ' HG3' ' A' ' 88' ' ' PRO . . . -106.6 91.1 3.54 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 172.219 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.587 HG12 ' HB3' ' A' ' 10' ' ' ALA . 18.4 m -135.1 155.39 37.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -168.066 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 1.017 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 38.1 t70 -112.6 14.64 20.15 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.399 -1.273 . . . . 0.0 108.762 175.241 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.609 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 15.0 t -171.9 -165.04 0.34 Allowed 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.573 -178.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -73.87 177.34 5.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 111.283 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.479 ' CG1' HG11 ' A' ' 65' ' ' VAL . 28.6 m -134.9 154.23 36.17 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 CA-C-O 121.25 0.548 . . . . 0.0 111.163 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.659 ' HB2' HD11 ' A' ' 46' ' ' ILE . 19.2 mmt180 -90.22 -21.41 22.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.789 176.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.603 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 24.8 m-80 -82.75 -8.61 59.58 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -174.1 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.453 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 29.0 tptp -59.82 -24.55 64.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.913 0.387 . . . . 0.0 110.391 -177.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -55.12 -42.28 72.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.799 178.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' A' ' 71' ' ' ASN . 9.5 ptp180 -92.32 -16.92 25.41 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -169.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.802 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 17.7 m-85 -92.67 46.46 1.24 Allowed 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.223 -0.298 . . . . 0.0 110.844 178.066 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.402 ' CG ' ' H ' ' A' ' 77' ' ' GLY . 3.1 p-10 -61.07 -80.77 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.928 -177.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.402 ' H ' ' CG ' ' A' ' 76' ' ' ASP . . . -86.26 47.98 3.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.095 -0.574 . . . . 0.0 111.759 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.802 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 28.2 mtpp -126.93 159.54 33.69 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -178.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.535 HG13 ' HA ' ' A' ' 60' ' ' VAL . 4.0 p -82.45 117.01 27.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.285 0.564 . . . . 0.0 110.656 -176.638 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.505 ' HA ' ' HB ' ' A' ' 61' ' ' VAL . 90.4 t -111.52 119.13 59.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.293 -176.06 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.641 HD23 HD11 ' A' ' 102' ' ' LEU . 3.2 tm? -109.6 107.87 18.1 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 174.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -102.9 135.62 44.24 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.081 -176.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 18.6 m -139.92 158.77 66.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.666 177.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.443 ' HG2' ' HB2' ' A' ' 87' ' ' ALA . 19.4 Cg_endo -60.37 149.28 86.85 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 121.898 1.732 . . . . 0.0 110.637 171.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.7 p -56.22 -30.96 31.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -174.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.491 ' HA ' HD12 ' A' ' 89' ' ' ILE . 32.3 t -75.5 -20.14 58.94 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.443 ' HB2' ' HG2' ' A' ' 84' ' ' PRO . . . -64.58 -54.58 35.73 Favored Pre-proline 0 CA--C 1.538 0.483 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -171.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.682 ' HG3' ' HB2' ' A' ' 64' ' ' ALA . 64.6 Cg_endo -70.72 -4.25 14.3 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 122.094 1.863 . . . . 0.0 112.712 -175.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.654 HG12 ' HA ' ' A' ' 21' ' ' ALA . 60.1 mt -79.22 -38.36 20.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.42 0.629 . . . . 0.0 109.65 176.367 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -95.94 -48.98 5.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.089 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.64 ' HB3' ' HB3' ' A' ' 94' ' ' LYS . 53.9 m-20 -105.19 41.96 1.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.45 -173.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.22 -49.48 63.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.592 0.234 . . . . 0.0 111.55 -176.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -59.09 -43.23 91.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.166 0.508 . . . . 0.0 110.195 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.64 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 62.2 tttm -71.1 -38.37 72.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.642 -172.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 91' ' ' ASP . 99.8 t -64.08 -44.57 97.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.505 177.51 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 76.2 mt -64.22 -44.67 97.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.643 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -62.75 -41.41 99.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.276 178.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.482 ' O ' ' HG ' ' A' ' 102' ' ' LEU . . . -59.87 -42.37 93.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.226 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.53 93.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.814 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 80.5 mt -69.72 -35.24 74.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.635 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.19 -18.57 64.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.668 -179.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.641 HD11 HD23 ' A' ' 81' ' ' LEU . 80.3 mt -76.78 -32.58 57.78 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.354 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 104' ' ' ASP . 28.7 pt -105.56 -42.05 6.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -176.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.459 ' N ' HG13 ' A' ' 103' ' ' ILE . 22.9 t70 -103.8 -23.32 13.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.79 0.329 . . . . 0.0 110.409 -175.265 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 62.56 85.13 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.478 177.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm . . . . . 0 C--O 1.244 0.795 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.358 177.281 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.484 1.23 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 94.2 mttt 56.05 37.78 29.21 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.394 0.434 . . . . 0.0 111.211 173.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.406 ' NH1' ' HG3' ' A' ' 59' ' ' GLU . 4.3 tpt85 -63.62 128.63 36.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.476 -174.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp -82.46 120.31 25.3 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.876 -177.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 75.4 mt -139.07 134.79 41.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.879 0.371 . . . . 0.0 111.506 -176.171 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.702 HD11 HG22 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -115.89 135.83 54.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 169.864 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -135.66 130.76 34.82 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 122.333 -0.23 . . . . 0.0 110.454 -176.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.2 t -107.95 113.3 43.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.207 0.527 . . . . 0.0 110.774 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.427 HG22 ' HB3' ' A' ' 64' ' ' ALA . 22.6 p -102.38 118.16 36.28 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.564 175.533 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.758 ' HB3' HG12 ' A' ' 65' ' ' VAL . . . -139.3 127.22 22.2 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.883 0.373 . . . . 0.0 111.311 -175.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.55 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 41.5 t -158.28 130.79 7.09 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.353 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.19 -36.96 34.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.06 0.457 . . . . 0.0 110.494 -178.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.4 p -96.46 125.11 40.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.169 -177.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.39 74.21 0.92 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.192 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.9 t -56.91 -34.85 45.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.912 0.386 . . . . 0.0 111.209 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.76 -29.02 69.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.69 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -73.52 -41.25 63.29 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.55 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 5.9 m -57.57 -50.46 73.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.484 176.633 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -68.66 -32.27 71.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.006 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 24.8 ttt -62.92 -45.77 90.94 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.106 -0.237 . . . . 0.0 110.591 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.95 -37.76 83.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.081 0.467 . . . . 0.0 110.155 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.642 ' HA ' HG11 ' A' ' 38' ' ' VAL . . . -64.68 -49.58 70.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.473 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -73.21 -29.28 62.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.136 -178.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.86 -46.01 72.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.929 0.395 . . . . 0.0 110.127 176.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.594 HD21 ' HB3' ' A' ' 88' ' ' PRO . 62.8 mt -61.55 -44.1 97.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.136 175.082 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -58.76 -37.9 77.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.148 0.499 . . . . 0.0 110.136 176.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -67.1 -52.59 39.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.22 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.7 -48.67 83.67 Favored Glycine 0 CA--C 1.518 0.275 0 CA-C-N 115.955 -0.566 . . . . 0.0 113.239 -176.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.86 -32.94 74.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.736 0.303 . . . . 0.0 111.338 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.409 ' HB2' ' NZ ' ' A' ' 30' ' ' LYS . 4.8 ttmp? -69.14 -37.62 78.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.005 0.431 . . . . 0.0 110.271 177.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -60.43 -41.48 94.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.406 177.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 84.6 mtp -74.85 -24.41 58.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.257 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.91 57.88 1.46 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.063 -0.589 . . . . 0.0 111.762 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -128.76 177.66 6.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.825 0.345 . . . . 0.0 111.213 -173.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 mp -114.36 107.84 16.11 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 176.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.464 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 15.3 tt -125.79 134.39 66.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.38 0.609 . . . . 0.0 111.3 -173.247 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -116.63 104.24 11.19 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.072 173.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.642 HG11 ' HA ' ' A' ' 22' ' ' ALA . 17.6 t -94.55 125.32 47.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.026 -178.579 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.67 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 29.8 tt0 -96.29 132.19 42.03 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.959 177.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.92 ' HB ' ' HB3' ' A' ' 47' ' ' GLU . 13.9 m -108.16 102.28 11.44 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.522 ' O ' ' HA ' ' A' ' 10' ' ' ALA . 4.5 tt0 -103.92 110.74 22.99 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -178.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.69 -111.75 3.57 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.369 -0.919 . . . . 0.0 112.734 -174.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.72 81.46 5.81 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.581 0.229 . . . . 0.0 110.603 -175.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.7 p 51.97 22.94 1.96 Allowed 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.624 0.77 . . . . 0.0 111.784 -177.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -139.34 150.44 21.31 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 178.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -110.49 130.35 63.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 C-N-CA 120.404 -0.519 . . . . 0.0 110.849 -173.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.92 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 8.3 tp10 -79.74 -49.17 12.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.382 0.611 . . . . 0.0 109.476 177.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -130.21 79.4 1.9 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.661 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -74.32 125.17 27.88 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.269 0.557 . . . . 0.0 111.249 -177.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.67 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 70.8 mt -76.07 149.54 37.46 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.359 -179.022 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.8 p -106.78 172.72 6.66 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.056 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -59.12 -42.34 90.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.825 0.345 . . . . 0.0 111.166 -174.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.19 -39.45 82.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.317 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -67.71 -42.95 81.18 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.745 0.783 . . . . 0.0 109.738 -177.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.121 HG21 ' HD2' ' A' ' 74' ' ' ARG . 72.5 t -62.36 -44.15 98.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 114.333 -1.303 . . . . 0.0 111.811 -177.39 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -78.66 -11.8 59.99 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.401 -175.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 68.9 mt -88.31 -42.69 15.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.109 173.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.504 ' HA3' HD12 ' A' ' 6' ' ' ILE . . . -59.2 130.63 50.97 Favored Glycine 0 CA--C 1.521 0.406 0 C-N-CA 121.25 -0.5 . . . . 0.0 113.214 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.406 ' HG3' ' NH1' ' A' ' 3' ' ' ARG . 9.2 mm-40 -75.65 -55.05 6.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.997 0.427 . . . . 0.0 110.356 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.2 m -117.93 152.34 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.654 -179.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.702 HG22 HD11 ' A' ' 6' ' ' ILE . 8.2 t -117.32 121.88 68.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.31 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.9 mp -101.34 131.85 48.3 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -115.13 117.45 30.58 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.98 0.419 . . . . 0.0 110.995 178.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.712 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -114.94 90.16 3.27 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 170.128 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.758 HG12 ' HB3' ' A' ' 10' ' ' ALA . 22.2 m -132.91 135.61 56.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -167.529 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.523 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 0.8 OUTLIER -101.15 -23.27 14.49 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 113.999 -1.455 . . . . 0.0 109.277 172.813 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.3 t -125.2 -169.98 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.095 -177.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.444 ' HE2' ' HB3' ' A' ' 68' ' ' LYS . 28.3 ttpt -86.73 148.9 25.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.386 -178.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 72' ' ' LYS . 22.3 m -120.6 143.04 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.861 0.362 . . . . 0.0 110.164 176.158 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -76.77 -32.81 57.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.007 0.432 . . . . 0.0 111.177 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -82.35 -7.27 59.63 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -169.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.486 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 82.9 tttt -60.02 -23.15 63.45 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 177.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -41.02 -52.42 3.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.839 175.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 1.121 ' HD2' HG21 ' A' ' 55' ' ' VAL . 11.8 ptp180 -83.22 -32.63 26.41 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -178.4 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.486 ' HD2' ' HA ' ' A' ' 72' ' ' LYS . 24.6 m-85 -67.93 -8.47 37.12 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.82 0.343 . . . . 0.0 111.123 177.075 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.96 -42.57 85.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.761 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -96.4 41.13 2.44 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.825 -0.703 . . . . 0.0 111.928 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -140.11 176.43 8.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.726 0.298 . . . . 0.0 110.206 -178.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.491 HG11 HG23 ' A' ' 103' ' ' ILE . 59.3 t -92.67 118.9 39.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 178.335 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.616 HG12 ' HB ' ' A' ' 61' ' ' VAL . 2.8 m -127.09 161.21 34.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.304 0.574 . . . . 0.0 111.75 -174.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.636 HD23 HD11 ' A' ' 102' ' ' LEU . 3.3 tm? -133.94 108.51 8.45 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 174.54 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -107.62 124.68 50.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.036 -173.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.447 ' HB ' ' HD2' ' A' ' 84' ' ' PRO . 11.7 m -139.38 169.67 11.78 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.449 -178.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.447 ' HD2' ' HB ' ' A' ' 83' ' ' VAL . 33.4 Cg_exo -61.01 148.76 91.87 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.513 2.142 . . . . 0.0 111.244 173.384 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.712 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 11.8 p -61.53 -28.04 43.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -175.376 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.3 t -73.74 -24.27 59.86 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 120.756 0.312 . . . . 0.0 111.525 -178.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.609 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -63.51 -54.56 42.35 Favored Pre-proline 0 CA--C 1.539 0.54 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -173.533 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.677 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 15.7 Cg_exo -70.02 -1.29 8.44 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 122.253 1.968 . . . . 0.0 113.075 -176.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 38.2 mt -76.14 -45.0 36.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.854 0.359 . . . . 0.0 110.456 177.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -96.66 -26.86 15.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.534 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.542 ' O ' HG23 ' A' ' 95' ' ' VAL . 37.0 m-20 -121.78 40.76 3.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.482 -175.194 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.56 -49.39 65.03 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -176.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.2 mp0 -63.69 -37.8 88.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.826 0.346 . . . . 0.0 110.927 -178.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 38.3 ttpt -72.82 -34.63 66.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.406 -175.504 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 91' ' ' ASP . 84.8 t -64.66 -42.99 96.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.17 0.509 . . . . 0.0 109.994 176.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.509 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 94.9 mt -64.2 -48.18 86.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.663 177.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -60.63 -38.58 85.23 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.307 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.422 ' O ' ' HG ' ' A' ' 102' ' ' LEU . . . -63.57 -45.28 91.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.878 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.81 98.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.066 0.46 . . . . 0.0 111.032 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 91.6 mt -66.4 -35.78 81.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.182 -179.63 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.493 ' HA ' ' HA ' ' A' ' 105' ' ' GLU . . . -68.39 -21.37 64.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.536 -178.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.636 HD11 HD23 ' A' ' 81' ' ' LEU . 81.8 mt -65.92 -25.58 67.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.989 -178.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.491 HG23 HG11 ' A' ' 79' ' ' VAL . 29.5 pt -115.33 -32.68 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.684 179.069 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -145.88 -78.97 0.17 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.577 0.227 . . . . 0.0 110.966 -177.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 101' ' ' ALA . 27.4 tt0 173.01 -45.98 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -177.055 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt . . . . . 0 C--O 1.251 1.164 0 CA-C-N 114.782 -1.099 . . . . 0.0 108.967 -178.834 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ttt . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -70.28 116.61 10.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 0.0 110.59 177.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -140.56 131.81 26.58 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 172.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.701 ' HB3' ' HA2' ' A' ' 58' ' ' GLY . 43.3 mmtm -83.01 122.68 28.62 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 173.189 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 57.3 mt -129.55 114.18 30.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 110.477 -0.194 . . . . 0.0 110.477 -178.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.735 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -96.18 119.45 44.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.421 0.629 . . . . 0.0 109.503 174.718 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -127.18 130.13 49.15 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.786 -174.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.42 ' HB ' ' CD1' ' A' ' 63' ' ' PHE . 58.1 t -109.45 126.28 66.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.042 0.448 . . . . 0.0 110.536 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.569 HG22 ' HB3' ' A' ' 64' ' ' ALA . 18.8 p -115.51 122.77 46.73 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.835 177.201 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.444 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -145.39 97.51 3.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.739 0.304 . . . . 0.0 111.534 -179.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.937 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 41.8 t -108.8 125.93 52.49 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 176.537 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.75 -31.43 18.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.064 0.459 . . . . 0.0 110.154 178.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.2 m -62.11 -60.02 4.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.062 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.31 117.05 1.54 Allowed Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.474 -0.869 . . . . 0.0 112.329 -177.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.6 m -64.76 -18.92 24.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.064 0.459 . . . . 0.0 111.051 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.57 -31.56 72.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.582 175.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -72.21 -41.9 66.38 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.437 HG21 ' O ' ' A' ' 41' ' ' GLN . 20.3 m -58.43 -48.45 80.66 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.512 178.243 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -72.06 -41.9 66.89 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.958 -175.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 18.9 tpt -63.85 -43.1 97.16 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.15 -48.09 81.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.783 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.24 -34.61 76.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.083 -176.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -80.53 -42.01 23.17 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.151 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.46 -40.8 89.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.173 0.511 . . . . 0.0 110.339 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.2 tp -66.22 -37.26 85.13 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.446 177.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -63.99 -45.37 89.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.967 177.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -63.42 -39.0 93.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.068 176.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.76 -43.3 98.0 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.024 174.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.02 -41.12 97.54 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -59.13 -38.21 79.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.993 175.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -58.1 -42.85 86.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.683 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.649 ' HB2' ' ND2' ' A' ' 34' ' ' ASN . 90.4 mmm -95.36 3.67 54.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.982 -176.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.16 33.76 56.36 Favored Glycine 0 C--N 1.333 0.388 0 CA-C-N 116.014 -0.539 . . . . 0.0 113.431 174.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.649 ' ND2' ' HB2' ' A' ' 32' ' ' MET . 34.0 m-80 -97.03 170.76 8.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.11 0.481 . . . . 0.0 110.757 -178.073 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 mp -116.16 105.71 12.89 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 176.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.9 tt -103.27 140.51 21.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.487 0.66 . . . . 0.0 111.431 -171.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.808 ' HG3' HD22 ' A' ' 50' ' ' LEU . 9.5 tppt? -116.39 98.76 6.75 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 175.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 7.3 p -101.85 135.45 38.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.337 0.589 . . . . 0.0 111.691 -173.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.774 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 33.3 tt0 -109.38 125.65 52.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.655 176.599 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.564 ' OG1' ' HB3' ' A' ' 47' ' ' GLU . 0.9 OUTLIER -108.07 105.29 14.98 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.391 -178.599 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.466 ' HG2' HG12 ' A' ' 46' ' ' ILE . 31.7 mt-30 -104.61 -156.53 0.57 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 175.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 151.06 -88.9 0.13 Allowed Glycine 0 C--N 1.314 -0.681 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.464 173.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.45 83.43 2.45 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.557 0.217 . . . . 0.0 110.786 -178.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.0 m 73.48 -39.16 0.43 Allowed 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 176.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.01 157.43 15.58 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.8 -170.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.466 HG12 ' HG2' ' A' ' 41' ' ' GLN . 60.9 mt -118.37 131.24 71.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.333 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.564 ' HB3' ' OG1' ' A' ' 40' ' ' THR . 36.2 tt0 -80.99 -40.17 24.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.94 0.4 . . . . 0.0 111.242 -176.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.56 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 6.0 t30 -129.01 83.98 2.19 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 -178.08 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -69.08 119.8 13.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.739 -176.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.808 HD22 ' HG3' ' A' ' 37' ' ' LYS . 33.6 mt -82.05 118.2 22.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.965 177.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.477 ' O ' HG23 ' A' ' 55' ' ' VAL . 67.1 p -72.74 167.38 20.96 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -60.57 -26.64 67.09 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.539 ' O ' HG13 ' A' ' 57' ' ' ILE . 32.1 ttpt -67.26 -55.52 13.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.192 176.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.444 ' HB3' ' HG2' ' A' ' 37' ' ' LYS . 44.1 m-20 -55.81 -40.98 73.51 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.28 0.562 . . . . 0.0 110.662 -177.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.787 HG21 ' HG3' ' A' ' 74' ' ' ARG . 58.6 t -68.55 -34.93 68.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.317 -177.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -73.67 -26.71 60.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.699 0.285 . . . . 0.0 110.742 177.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.539 HG13 ' O ' ' A' ' 53' ' ' LYS . 76.3 mt -68.67 -47.78 74.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.137 176.184 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.701 ' HA2' ' HB3' ' A' ' 4' ' ' LYS . . . -63.37 138.26 43.17 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.985 -0.552 . . . . 0.0 113.321 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -80.56 -69.75 0.58 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.047 0.451 . . . . 0.0 109.932 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.0 m -97.84 148.61 5.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.087 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.625 ' HB ' HG12 ' A' ' 80' ' ' VAL . 31.1 t -110.82 136.99 45.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.994 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.5 mt -124.52 127.57 73.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 176.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.724 ' HB2' ' HG2' ' A' ' 82' ' ' GLU . 41.4 m-85 -112.14 107.67 16.67 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.914 179.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.685 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -107.92 90.41 3.29 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 172.266 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.0 m -132.47 145.95 33.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.712 0.768 . . . . 0.0 112.886 -170.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.937 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 19.5 t70 -108.19 -11.43 15.25 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.308 -1.315 . . . . 0.0 109.214 176.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.1 t -139.78 -170.75 3.0 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.416 178.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -74.3 146.78 42.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.221 0.534 . . . . 0.0 111.465 -176.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.3 p -109.53 118.26 56.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.094 174.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.497 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 12.9 ttm180 -74.52 -45.3 46.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.834 -175.077 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.409 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 10.9 m-20 -66.65 -6.18 14.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.479 -176.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.499 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 31.6 ttmt -50.09 -22.8 1.78 Allowed 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.212 0.32 . . . . 0.0 111.075 177.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 29.8 mt-10 -41.02 -47.41 3.06 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.756 176.095 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.787 ' HG3' HG21 ' A' ' 55' ' ' VAL . 8.2 ptp180 -85.57 -21.98 28.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.392 -175.356 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.809 ' HA ' ' HG3' ' A' ' 78' ' ' LYS . 55.9 m-85 -88.67 16.91 6.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.982 0.42 . . . . 0.0 110.309 176.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -82.26 -49.06 10.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.536 -173.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.15 46.08 3.22 Favored Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 173.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.809 ' HG3' ' HA ' ' A' ' 75' ' ' PHE . 12.0 mmmt -132.56 166.58 21.76 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 -174.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.8 p -96.4 108.68 21.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 176.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.625 HG12 ' HB ' ' A' ' 61' ' ' VAL . 2.2 m -116.81 153.24 18.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.184 0.516 . . . . 0.0 111.746 -172.39 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.526 HD23 HD11 ' A' ' 102' ' ' LEU . 1.9 tm? -129.59 115.87 18.04 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 173.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.724 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 42.3 mt-10 -104.55 134.73 47.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.257 0.551 . . . . 0.0 111.722 -173.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.442 ' HB ' ' HD2' ' A' ' 84' ' ' PRO . 17.4 m -142.9 164.64 30.95 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.511 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.546 ' HG2' ' HB2' ' A' ' 87' ' ' ALA . 23.0 Cg_endo -61.63 150.44 85.54 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.0 1.8 . . . . 0.0 110.92 171.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.685 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 8.8 p -64.63 -28.26 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.22 0.533 . . . . 0.0 110.894 -175.412 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.44 ' HA ' HD12 ' A' ' 89' ' ' ILE . 15.4 m -74.35 -18.89 60.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.762 -0.653 . . . . 0.0 112.486 -178.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.638 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -67.49 -57.72 9.84 Favored Pre-proline 0 CA--C 1.539 0.544 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -174.338 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.638 ' HD3' ' HB3' ' A' ' 87' ' ' ALA . 14.4 Cg_exo -68.54 0.48 4.72 Favored 'Trans proline' 0 C--N 1.359 1.119 0 C-N-CA 122.369 2.046 . . . . 0.0 113.043 -174.162 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 86' ' ' SER . 96.0 mt -72.61 -36.98 55.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 172.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -97.74 -64.9 1.0 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.886 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.834 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 11.9 p-10 -105.72 42.27 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.142 0.496 . . . . 0.0 111.654 -168.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' A' ' 88' ' ' PRO . . . -53.11 -35.39 59.61 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.859 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -59.15 -41.54 88.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.451 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.834 ' HD3' ' HB2' ' A' ' 91' ' ' ASP . 10.7 mtpt -66.27 -46.17 77.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.188 178.067 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 45.1 t -58.37 -40.92 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.856 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.591 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 82.2 mt -63.86 -50.5 77.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.706 179.014 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -63.35 -37.27 86.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.889 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.63 86.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.817 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.07 -42.08 66.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.605 177.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 79.3 mt -63.19 -38.85 92.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.641 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.11 -17.51 57.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.975 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.526 HD11 HD23 ' A' ' 81' ' ' LEU . 60.4 mt -73.85 -41.16 62.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.666 0.27 . . . . 0.0 111.321 -178.259 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 33.4 pt -98.09 -19.95 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.936 0.398 . . . . 0.0 111.362 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -96.56 -39.16 9.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.229 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 52.7 43.56 31.19 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.165 0.507 . . . . 0.0 110.743 -173.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 60.9 tttm . . . . . 0 C--O 1.25 1.088 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.037 -178.769 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.7 tpp . . . . . 0 N--CA 1.476 0.871 0 CA-C-O 121.039 0.447 . . . . 0.0 111.31 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -110.8 90.69 3.4 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 169.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 -65.34 119.32 10.74 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.392 -175.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.485 ' HE2' HD22 ' A' ' 35' ' ' LEU . 27.7 mmtp -79.16 109.83 13.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.436 177.326 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 62.9 mt -115.68 127.73 73.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.734 -177.041 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.729 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -104.48 129.8 56.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 174.474 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.455 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -135.02 141.1 46.11 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.842 0.353 . . . . 0.0 110.813 -175.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.549 ' HB ' ' CE1' ' A' ' 63' ' ' PHE . 64.1 t -128.88 132.11 67.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 177.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.532 HG21 ' HB2' ' A' ' 22' ' ' ALA . 4.0 t -124.91 135.38 52.81 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.744 177.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.613 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . . . -164.22 99.94 0.84 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.132 -173.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.473 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 42.0 t -94.52 -18.69 21.21 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 174.346 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.677 ' HB2' HG21 ' A' ' 67' ' ' THR . . . 64.2 -75.92 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.746 0.819 . . . . 0.0 112.02 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 m -62.43 -53.61 52.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.21 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.65 69.15 1.73 Allowed Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.789 -0.72 . . . . 0.0 111.357 175.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.409 HG22 ' HE2' ' A' ' 19' ' ' TYR . 12.8 p -58.66 -28.67 37.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 122.373 0.269 . . . . 0.0 111.624 -176.091 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.93 -30.7 71.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.066 0.46 . . . . 0.0 111.004 178.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -71.23 -32.59 68.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.815 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.8 m -58.38 -44.28 88.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.688 177.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.461 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 81.4 m-85 -71.84 -40.59 68.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.452 -177.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.3 tpt -61.78 -44.83 96.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.839 0.352 . . . . 0.0 110.755 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.96 -46.94 85.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.707 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.532 ' HB2' HG21 ' A' ' 9' ' ' THR . . . -57.79 -50.76 72.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.908 -178.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 19' ' ' TYR . 4.2 pt20 -66.91 -41.97 86.22 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.734 -175.306 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.32 -46.76 66.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.904 0.383 . . . . 0.0 110.79 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.0 tp -57.8 -47.02 83.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.092 177.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -68.38 -30.34 69.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.944 -177.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -64.4 -48.44 75.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.507 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.31 -29.37 71.91 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 121.081 -0.581 . . . . 0.0 112.481 -178.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.23 -44.49 91.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.663 0.268 . . . . 0.0 111.139 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -69.57 -31.31 69.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.414 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -58.62 -44.44 89.99 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.509 178.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.1 mmt -78.04 -5.17 50.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.246 -177.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.55 47.73 7.16 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.887 176.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -127.84 173.8 9.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.819 0.343 . . . . 0.0 110.61 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.485 HD22 ' HE2' ' A' ' 4' ' ' LYS . 9.7 mp -111.64 124.39 52.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.726 177.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.4 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 16.8 tt -127.23 140.3 49.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.114 0.483 . . . . 0.0 110.667 -176.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -116.61 103.43 10.38 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.448 176.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.455 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 19.2 t -101.82 122.05 53.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.904 0.383 . . . . 0.0 110.982 -176.307 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.682 ' OE1' ' HA ' ' A' ' 49' ' ' GLU . 29.4 tt0 -94.83 124.45 38.87 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.985 178.02 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.0 p -100.32 107.51 19.32 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.172 0.511 . . . . 0.0 110.412 176.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.735 ' HG3' HG12 ' A' ' 46' ' ' ILE . 6.8 tt0 -109.81 106.13 15.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.409 179.364 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.574 ' O ' ' HA ' ' A' ' 12' ' ' ALA . . . -87.31 -105.04 0.86 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.214 -176.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' A' ' 45' ' ' GLY . . . -118.94 89.13 3.07 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.1 m 71.12 -10.45 0.77 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.857 -176.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' A' ' 43' ' ' ALA . . . -107.87 110.31 3.13 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.85 -177.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.735 HG12 ' HG3' ' A' ' 41' ' ' GLN . 16.0 mt -99.92 131.11 47.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.026 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -104.21 21.46 16.5 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.944 -173.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -161.15 -68.28 0.06 Allowed 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 121.183 -0.207 . . . . 0.0 110.691 -179.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.682 ' HA ' ' OE1' ' A' ' 39' ' ' GLU . 31.4 tt0 61.35 97.84 0.03 OUTLIER 'General case' 0 C--O 1.237 0.422 0 O-C-N 123.9 0.75 . . . . 0.0 110.423 -174.062 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.47 HD13 ' HB ' ' A' ' 6' ' ' ILE . 80.4 mt -61.37 130.46 46.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.717 -177.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.453 ' O ' HG23 ' A' ' 55' ' ' VAL . 30.7 p -74.66 159.79 31.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.186 -178.509 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.99 -33.5 70.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.913 0.387 . . . . 0.0 110.016 176.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.512 ' O ' HG13 ' A' ' 57' ' ' ILE . 16.9 tptp -65.96 -52.29 51.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.163 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -57.39 -40.35 78.0 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.048 0.451 . . . . 0.0 110.869 178.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.708 HG11 ' HB3' ' A' ' 74' ' ' ARG . 41.1 t -61.57 -35.04 64.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.335 -0.848 . . . . 0.0 112.043 -179.213 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -82.19 -31.03 30.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.647 0.26 . . . . 0.0 111.154 178.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 53' ' ' LYS . 82.3 mt -65.55 -48.13 83.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.931 0.396 . . . . 0.0 109.972 176.403 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.83 143.47 43.62 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.692 174.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -98.33 -66.99 0.87 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.806 0.336 . . . . 0.0 110.769 -177.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.489 HG21 ' HB1' ' A' ' 99' ' ' ALA . 14.6 p -94.72 144.1 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -178.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.717 ' HB ' ' HB ' ' A' ' 80' ' ' VAL . 13.2 t -109.9 142.42 22.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.699 -176.102 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.7 mt -119.43 117.52 54.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.362 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.549 ' CE1' ' HB ' ' A' ' 8' ' ' VAL . 1.5 m-85 -106.06 119.33 38.93 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.007 0.432 . . . . 0.0 110.783 177.154 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.49 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -122.72 88.84 3.0 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 171.385 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.522 HG12 ' N ' ' A' ' 10' ' ' ALA . 28.9 m -141.42 174.88 6.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.238 0.542 . . . . 0.0 111.795 -168.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.473 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 18.6 t70 -135.73 -17.54 1.69 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.716 173.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.677 HG21 ' HB2' ' A' ' 12' ' ' ALA . 15.1 t -121.77 -166.33 1.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.007 -175.347 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -70.74 152.36 43.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.969 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.036 ' HB ' ' HG3' ' A' ' 72' ' ' LYS . 73.1 t -129.21 135.22 62.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.315 178.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.716 ' HD3' HD11 ' A' ' 46' ' ' ILE . 28.0 mtp-105 -88.7 -14.6 36.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -176.343 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.485 ' HA ' ' HE ' ' A' ' 74' ' ' ARG . 0.5 OUTLIER -86.05 -7.86 58.33 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.185 174.455 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 1.036 ' HG3' ' HB ' ' A' ' 69' ' ' VAL . 50.1 mtpt -55.61 -41.65 73.77 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -173.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -59.1 -33.12 70.46 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.768 0.318 . . . . 0.0 111.436 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.708 ' HB3' HG11 ' A' ' 55' ' ' VAL . 9.2 mtm180 -69.44 -35.67 75.9 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.955 178.713 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.654 ' CE1' HG13 ' A' ' 6' ' ' ILE . 11.8 m-85 -99.38 11.24 39.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.706 0.288 . . . . 0.0 110.927 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -70.62 -39.34 73.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.327 -170.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -101.09 26.9 22.97 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.718 177.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.426 ' HG3' ' HA ' ' A' ' 75' ' ' PHE . 1.6 mtmp? -128.65 -177.39 4.17 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -176.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.9 t -94.94 122.08 46.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.734 0.302 . . . . 0.0 110.523 -177.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.717 ' HB ' ' HB ' ' A' ' 61' ' ' VAL . 2.6 p -144.25 138.83 24.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.015 0.436 . . . . 0.0 111.152 -177.07 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.424 HD13 HD11 ' A' ' 102' ' ' LEU . 18.3 tp -100.17 123.32 44.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.449 173.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.57 109.76 21.77 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.5 m -119.99 160.77 41.56 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.654 176.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -56.73 148.31 66.4 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.324 2.016 . . . . 0.0 111.175 173.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.49 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 7.5 p -63.15 -24.91 37.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-O 120.849 0.357 . . . . 0.0 111.129 -175.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.7 m -74.93 -19.57 60.07 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 177.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.06 -51.28 37.37 Favored Pre-proline 0 CA--C 1.543 0.682 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -171.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -73.97 13.0 0.87 Allowed 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 121.973 1.782 . . . . 0.0 113.534 -174.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 94.3 mt -82.95 -58.46 3.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.633 0.254 . . . . 0.0 111.09 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -96.35 -13.31 23.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.822 0.344 . . . . 0.0 111.164 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.506 ' O ' HG23 ' A' ' 95' ' ' VAL . 23.9 m-20 -125.59 37.74 4.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.793 0.33 . . . . 0.0 111.067 -176.172 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.63 -46.48 77.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.339 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -64.76 -33.4 75.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.779 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.41 ' HG3' ' OD1' ' A' ' 91' ' ' ASP . 32.2 mmtp -66.61 -43.06 85.81 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.315 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 91' ' ' ASP . 62.4 t -60.9 -44.11 97.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.644 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.461 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 84.2 mt -62.36 -46.71 95.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.783 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -65.67 -38.95 90.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.237 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.97 -36.59 78.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.721 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.489 ' HB1' HG21 ' A' ' 60' ' ' VAL . . . -62.24 -37.51 85.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.428 177.264 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 84.2 mt -71.05 -31.44 67.88 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.468 178.208 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.4 -31.02 70.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.751 0.31 . . . . 0.0 110.888 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.424 HD11 HD13 ' A' ' 81' ' ' LEU . 90.7 mt -64.17 -37.27 86.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.746 178.033 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 26.7 pt -93.04 -1.19 10.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.071 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 38.8 t70 61.28 94.87 0.04 OUTLIER 'General case' 0 C--O 1.231 0.106 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.889 -171.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -44.56 123.55 3.68 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 114.988 -1.005 . . . . 0.0 112.594 -174.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt . . . . . 0 C--O 1.245 0.822 0 CA-C-N 114.717 -1.128 . . . . 0.0 109.609 -178.459 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.478 ' HA ' ' O ' ' A' ' 32' ' ' MET . 17.1 mmt . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 120.817 0.341 . . . . 0.0 111.334 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.8 mtmm -85.44 118.82 25.2 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -168.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.864 ' HE ' ' HG3' ' A' ' 59' ' ' GLU . 4.8 tpt180 -151.56 148.11 27.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.799 172.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.435 ' CB ' ' HA2' ' A' ' 58' ' ' GLY . 73.3 mmtt -84.13 124.56 31.27 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 177.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.538 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 67.4 mt -132.41 131.66 60.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.904 0.383 . . . . 0.0 110.876 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.664 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -112.32 136.5 48.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 173.817 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.537 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -139.23 137.88 36.34 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.884 0.373 . . . . 0.0 111.172 -175.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.453 HG11 HG21 ' A' ' 69' ' ' VAL . 88.5 t -111.79 114.32 46.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.944 176.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.4 p -102.19 112.5 25.2 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.704 177.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.776 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . . . -129.05 145.28 51.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.803 -175.058 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.915 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 49.8 t -162.05 131.9 4.66 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 174.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.34 -16.84 12.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.942 0.401 . . . . 0.0 111.145 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.9 p -86.82 -52.11 5.68 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.03 0.443 . . . . 0.0 111.007 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -113.01 96.1 0.8 Allowed Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 177.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.475 HG12 ' HE2' ' A' ' 19' ' ' TYR . 31.8 t -56.53 -41.56 73.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.681 0.277 . . . . 0.0 111.735 -174.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.65 -27.3 67.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.519 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.6 m170 -67.28 -36.39 81.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.249 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.54 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 4.3 m -60.73 -46.77 89.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.969 -178.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.475 ' HE2' HG12 ' A' ' 15' ' ' VAL . 55.6 m-85 -70.74 -37.9 73.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.113 0.482 . . . . 0.0 110.455 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 51.0 ttm -66.91 -45.34 78.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.395 -176.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.442 ' HA ' HG12 ' A' ' 89' ' ' ILE . . . -59.22 -43.98 92.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.328 -177.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.499 ' O ' ' HG2' ' A' ' 26' ' ' LYS . . . -64.59 -51.32 63.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.811 -178.068 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -66.36 -35.24 79.85 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.232 -176.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.99 -41.27 71.18 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.186 0.517 . . . . 0.0 110.201 178.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.643 HD13 ' HB3' ' A' ' 88' ' ' PRO . 55.2 tp -62.47 -38.87 91.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.599 176.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 22' ' ' ALA . 12.7 mmmm -55.76 -43.12 76.38 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.189 177.471 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -61.23 -48.53 81.05 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.278 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.54 -40.68 98.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.433 -179.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.47 -50.27 63.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.06 0.457 . . . . 0.0 111.33 -178.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -67.96 -26.09 65.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.422 -177.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.466 ' HD2' ' OE1' ' A' ' 93' ' ' GLU . 35.0 ttmt -68.57 -35.6 77.61 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.977 0.418 . . . . 0.0 110.354 176.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.478 ' O ' ' HA ' ' A' ' 1' ' ' MET . 24.8 mmt -84.61 -4.89 59.22 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.216 -178.569 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.17 19.85 56.4 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.112 -0.566 . . . . 0.0 113.802 172.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -108.11 170.31 8.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 117.17 0.485 . . . . 0.0 110.88 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -111.5 117.05 31.95 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.846 -177.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.538 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 17.4 tt -120.88 142.23 37.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.325 0.583 . . . . 0.0 111.146 -174.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -122.17 107.8 12.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.155 177.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.537 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 23.2 m -100.76 133.35 44.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -173.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.895 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 24.6 tt0 -95.55 133.45 39.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.008 174.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . 1.036 ' HB ' ' HB3' ' A' ' 47' ' ' GLU . 6.4 m -97.38 98.08 9.66 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 176.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.776 ' HB3' ' HB2' ' A' ' 10' ' ' ALA . 7.4 tp-100 -106.23 127.2 53.06 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.761 -172.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -122.14 13.79 8.99 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.51 -0.852 . . . . 0.0 111.804 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 70.84 -52.36 0.67 Allowed 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.587 0.755 . . . . 0.0 111.269 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 m -69.22 -24.3 64.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.632 177.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.27 152.04 20.82 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.369 -178.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.735 HG12 HE22 ' A' ' 41' ' ' GLN . 20.5 mt -103.95 122.26 56.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 177.362 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 1.036 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 10.4 tp10 -85.02 -37.03 20.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.904 0.383 . . . . 0.0 110.256 -177.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -135.79 87.75 2.34 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.412 ' HG3' HD21 ' A' ' 71' ' ' ASN . 38.6 tt0 -67.11 121.72 16.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.397 -176.212 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.895 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 57.5 mt -82.43 107.92 15.46 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 173.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.544 ' O ' HG23 ' A' ' 55' ' ' VAL . 57.6 p -78.06 169.29 18.53 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.705 -176.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.499 ' H ' ' CD ' ' A' ' 52' ' ' GLU . 9.9 mp0 -52.6 -41.99 64.16 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 177.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.506 ' O ' HG12 ' A' ' 57' ' ' ILE . 87.1 tttt -52.97 -49.8 65.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.435 177.022 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -62.77 -44.63 95.67 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.228 0.537 . . . . 0.0 110.692 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.722 HG11 ' HG3' ' A' ' 74' ' ' ARG . 40.4 t -68.39 -34.65 67.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.726 -174.012 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -68.94 -25.77 64.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.203 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.506 HG12 ' O ' ' A' ' 53' ' ' LYS . 48.7 mm -78.89 -48.92 21.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.854 -177.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.435 ' HA2' ' CB ' ' A' ' 4' ' ' LYS . . . -67.19 142.79 41.85 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.033 -0.603 . . . . 0.0 113.446 -178.502 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.864 ' HG3' ' HE ' ' A' ' 3' ' ' ARG . 23.3 mm-40 -79.85 -70.55 0.51 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.106 0.479 . . . . 0.0 110.41 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.0 m -97.73 149.57 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.15 -176.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.69 HG11 ' HB3' ' A' ' 75' ' ' PHE . 31.6 t -110.45 118.65 57.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.347 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.7 mt -97.14 119.55 45.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.98 176.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.569 ' CZ ' ' HG3' ' A' ' 72' ' ' LYS . 20.0 m-85 -108.33 110.71 22.34 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.913 0.387 . . . . 0.0 111.143 177.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.591 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -116.73 90.78 3.41 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 170.644 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.604 HG12 ' HB3' ' A' ' 10' ' ' ALA . 27.5 m -130.53 137.2 56.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.732 0.777 . . . . 0.0 112.536 -169.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.915 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 6.6 t70 -96.74 -23.33 16.48 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.389 -1.278 . . . . 0.0 109.1 170.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.8 t -125.89 -170.96 2.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.065 -178.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -80.94 171.01 15.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.128 0.49 . . . . 0.0 111.378 -176.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.769 HG13 ' HB2' ' A' ' 72' ' ' LYS . 2.1 p -147.59 120.1 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.106 177.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.506 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 3.6 tmt_? -69.71 -39.92 76.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.73 -175.068 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.412 HD21 ' HG3' ' A' ' 49' ' ' GLU . 93.1 m-20 -68.36 -7.68 33.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.933 -175.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.769 ' HB2' HG13 ' A' ' 69' ' ' VAL . 19.2 ttpp -54.53 -23.7 17.62 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 122.545 0.338 . . . . 0.0 111.3 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 17.2 mt-10 -40.85 -53.0 2.97 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 123.88 0.737 . . . . 0.0 111.436 178.53 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.722 ' HG3' HG11 ' A' ' 55' ' ' VAL . 10.3 ptp180 -82.22 -34.34 28.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.79 -1.095 . . . . 0.0 111.895 -172.227 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.69 ' HB3' HG11 ' A' ' 61' ' ' VAL . 77.0 m-85 -70.54 -32.1 69.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.173 0.511 . . . . 0.0 110.767 -178.159 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.75 -26.28 67.66 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.341 -172.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -90.37 12.97 66.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.999 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -119.66 -164.58 1.08 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.1 t -82.88 115.67 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.0 t -114.18 137.47 47.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.0 0.428 . . . . 0.0 112.054 -171.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.589 HD23 HD11 ' A' ' 102' ' ' LEU . 3.1 tm? -132.13 113.44 13.33 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 172.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.548 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 48.4 mt-10 -105.15 135.63 46.15 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.823 0.344 . . . . 0.0 111.562 -175.252 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.458 ' HB ' ' HD2' ' A' ' 84' ' ' PRO . 15.4 m -141.01 164.03 38.56 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.602 177.017 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.51 ' HG2' ' HB2' ' A' ' 87' ' ' ALA . 27.6 Cg_endo -64.5 155.36 66.81 Favored 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 122.288 1.992 . . . . 0.0 111.119 172.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.591 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 12.2 p -65.6 -24.86 35.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.925 0.393 . . . . 0.0 111.117 -176.522 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.8 m -73.77 -22.45 59.84 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.611 178.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.579 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -63.5 -56.0 30.24 Favored Pre-proline 0 CA--C 1.535 0.374 0 N-CA-C 113.067 0.765 . . . . 0.0 113.067 -172.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.643 ' HB3' HD13 ' A' ' 25' ' ' LEU . 11.2 Cg_exo -72.01 7.27 1.76 Allowed 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 122.3 2.0 . . . . 0.0 113.318 -175.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.442 HG12 ' HA ' ' A' ' 21' ' ' ALA . 71.8 mt -87.79 -51.74 12.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 175.465 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 90' ' ' LYS . 53.1 mtpt -97.36 -30.53 12.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.829 179.516 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.498 ' O ' HG23 ' A' ' 95' ' ' VAL . 11.6 m-20 -121.34 34.33 5.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.876 -171.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 88' ' ' PRO . . . -53.38 -45.9 69.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.814 -177.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.466 ' OE1' ' HD2' ' A' ' 31' ' ' LYS . 36.2 mt-10 -67.27 -32.17 73.0 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.302 -176.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -70.67 -39.22 73.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.094 0.473 . . . . 0.0 109.973 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 91' ' ' ASP . 60.7 t -60.09 -42.26 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.263 176.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 92' ' ' ALA . 78.8 mt -61.01 -45.85 97.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.555 177.028 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -63.88 -33.38 75.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.173 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.97 -42.65 99.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.967 0.413 . . . . 0.0 110.28 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.65 -39.14 80.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.61 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 92.0 mt -64.11 -34.94 79.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.911 177.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.447 ' HA ' ' HA ' ' A' ' 105' ' ' GLU . . . -64.98 -23.38 67.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.411 -179.102 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.589 HD11 HD23 ' A' ' 81' ' ' LEU . 79.8 mt -77.88 -45.16 25.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.88 0.371 . . . . 0.0 110.948 -178.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.402 HG13 ' N ' ' A' ' 104' ' ' ASP . 27.6 pt -93.14 -39.63 11.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -175.331 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.402 ' N ' HG13 ' A' ' 103' ' ' ILE . 23.6 t70 -115.96 -17.56 10.92 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.588 0.232 . . . . 0.0 111.229 -172.121 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.447 ' HA ' ' HA ' ' A' ' 101' ' ' ALA . 33.7 tt0 67.07 22.63 9.88 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.784 0.802 . . . . 0.0 109.867 178.076 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.655 ' HA ' ' HE2' ' A' ' 106' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.245 0.836 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.355 -178.086 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.6 ttm . . . . . 0 N--CA 1.482 1.153 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.5 ' HD3' ' O ' ' A' ' 33' ' ' GLY . 47.3 mmtm -83.27 59.54 5.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.033 0.444 . . . . 0.0 110.325 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.55 ' HE ' ' HG3' ' A' ' 59' ' ' GLU . 3.6 tpt180 -87.58 138.37 31.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.415 -176.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -84.34 128.22 34.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.68 -179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.414 HG23 HG23 ' A' ' 60' ' ' VAL . 66.6 mt -139.37 137.68 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 121.151 -0.22 . . . . 0.0 110.621 -178.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.606 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -113.43 132.52 62.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 171.121 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.453 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -140.56 132.9 28.32 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.683 -176.115 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.7 t -110.16 114.83 48.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.016 0.436 . . . . 0.0 110.485 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.575 HG22 ' HB3' ' A' ' 64' ' ' ALA . 17.6 p -97.13 108.9 21.73 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.283 173.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.631 ' HA ' ' O ' ' A' ' 41' ' ' GLN . . . -127.25 103.03 7.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.861 0.362 . . . . 0.0 111.864 -173.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.658 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 42.8 t -124.56 131.27 53.49 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 176.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.24 -31.12 7.69 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.932 0.396 . . . . 0.0 110.745 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.0 m -71.72 -54.95 8.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.814 -178.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -114.32 93.94 0.66 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.942 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 m -61.8 -20.91 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -176.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.69 -27.47 64.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.069 0.461 . . . . 0.0 110.358 176.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -75.36 -34.73 61.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.62 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.446 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 2.6 m -55.68 -53.93 50.44 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.422 0.451 . . . . 0.0 111.23 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -75.68 -32.64 60.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.331 -175.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 51.2 ttm -70.54 -43.16 70.14 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.775 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.17 -44.72 95.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.694 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.462 ' O ' ' HG3' ' A' ' 26' ' ' LYS . . . -57.72 -49.14 77.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.329 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -69.83 -38.75 76.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.446 -177.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.468 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . . . -66.81 -39.96 87.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.19 0.519 . . . . 0.0 110.398 177.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.7 tp -62.99 -45.36 92.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.248 175.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 97.4 mttt -58.49 -42.45 87.6 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.568 175.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -61.63 -42.11 98.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.635 -177.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.443 ' HA3' ' HB1' ' A' ' 92' ' ' ALA . . . -72.69 -39.72 54.96 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.262 178.3 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.412 ' HA ' ' CD1' ' A' ' 96' ' ' ILE . . . -66.33 -41.98 88.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.902 0.382 . . . . 0.0 110.903 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.547 ' HA ' ' HE3' ' A' ' 30' ' ' LYS . 1.6 tpmt? -69.23 -29.11 66.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.28 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -61.55 -34.17 75.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.996 175.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 85.5 mmm -85.49 -6.03 59.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.547 178.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.5 ' O ' ' HD3' ' A' ' 2' ' ' LYS . . . 80.02 17.07 75.46 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.577 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -75.39 167.31 22.14 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.431 0.634 . . . . 0.0 111.514 -175.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 98.2 mt -117.0 92.74 3.94 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.528 173.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 15.8 tt -111.58 144.52 19.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.065 -171.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -116.57 103.37 10.33 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 35.4 t -93.85 117.53 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.07 -176.23 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.654 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 42.3 tt0 -94.52 148.99 21.69 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.09 -177.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.487 ' OG1' ' HB2' ' A' ' 47' ' ' GLU . 3.7 p -120.78 110.27 16.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.073 0.464 . . . . 0.0 111.597 -177.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.631 ' O ' ' HA ' ' A' ' 10' ' ' ALA . 41.8 tt0 -115.87 148.16 40.27 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 175.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -148.7 -75.1 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.356 -0.926 . . . . 0.0 111.949 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.63 79.18 1.33 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.616 0.246 . . . . 0.0 110.793 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.8 m 71.15 -37.57 0.4 Allowed 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 178.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.77 172.8 28.84 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.704 -171.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.4 HD13 ' HB2' ' A' ' 41' ' ' GLN . 35.0 mm -120.13 127.12 75.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -179.162 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.487 ' HB2' ' OG1' ' A' ' 40' ' ' THR . 48.8 mt-10 -85.58 -71.49 0.53 Allowed 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.276 179.076 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -81.66 71.07 8.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.467 0.651 . . . . 0.0 109.306 177.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -56.88 120.26 7.62 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.247 -1.342 . . . . 0.0 112.413 -176.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.654 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 79.6 mt -85.51 151.28 24.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.686 173.285 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 77.3 p -110.1 169.79 8.5 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 177.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.4 ' OE1' ' HD3' ' A' ' 74' ' ' ARG . 9.6 mm-40 -59.97 -30.39 69.08 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -177.257 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.557 ' O ' HG12 ' A' ' 57' ' ' ILE . 39.0 ttpt -58.43 -51.47 69.69 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 175.392 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -58.39 -46.7 85.85 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.152 0.501 . . . . 0.0 110.406 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.9 t -59.94 -38.17 75.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.521 -178.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -88.07 -10.94 48.6 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -177.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.557 HG12 ' O ' ' A' ' 53' ' ' LYS . 35.0 mm -89.99 -47.14 14.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 174.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.423 ' HA3' HG23 ' A' ' 6' ' ' ILE . . . -61.13 134.02 48.8 Favored Glycine 0 CA--C 1.519 0.312 0 CA-C-N 116.012 -0.54 . . . . 0.0 113.037 -179.143 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.55 ' HG3' ' HE ' ' A' ' 3' ' ' ARG . 6.4 mm-40 -73.8 -70.5 0.38 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.346 0.593 . . . . 0.0 110.54 -177.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.633 ' HA ' HG13 ' A' ' 79' ' ' VAL . 19.6 m -99.7 151.45 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.978 -174.624 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.542 HG22 HD11 ' A' ' 6' ' ' ILE . 32.4 t -110.4 116.31 52.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.622 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.9 mt -103.61 126.3 58.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.429 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.625 ' HB2' ' HG2' ' A' ' 82' ' ' GLU . 42.8 m-85 -112.77 102.86 10.87 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.821 0.343 . . . . 0.0 110.956 176.271 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.575 ' HB3' HG22 ' A' ' 9' ' ' THR . . . -100.76 91.63 4.71 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 172.153 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.628 HG12 ' HB3' ' A' ' 10' ' ' ALA . 23.9 m -128.25 154.8 39.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.882 0.848 . . . . 0.0 113.153 -168.118 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.658 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 0.9 OUTLIER -111.94 -24.29 10.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 113.963 -1.471 . . . . 0.0 108.848 173.9 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.6 t -128.22 -168.79 1.96 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.004 -0.998 . . . . 0.0 108.729 176.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -85.64 167.18 15.57 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.706 0.288 . . . . 0.0 110.32 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.438 ' CG2' ' HB2' ' A' ' 72' ' ' LYS . 15.5 m -123.99 157.04 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.32 178.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -94.6 -35.48 12.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.423 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.525 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 85.7 m-20 -76.58 -5.86 49.5 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 -171.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.484 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 41.3 ttmt -57.03 -24.88 56.94 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.288 0.566 . . . . 0.0 109.62 178.079 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -42.37 -51.62 4.84 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.788 -1.096 . . . . 0.0 112.095 174.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.525 ' HG2' ' O ' ' A' ' 71' ' ' ASN . 13.1 ptp180 -83.02 -26.9 30.77 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -177.257 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.573 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 29.0 m-85 -76.79 -8.61 57.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.513 0.197 . . . . 0.0 111.285 177.29 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.28 -40.86 95.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.867 -176.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -82.39 16.43 24.1 Favored Glycine 0 C--O 1.23 -0.152 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.156 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.573 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 26.1 mtpp -124.88 -173.67 2.85 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -178.376 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.633 HG13 ' HA ' ' A' ' 60' ' ' VAL . 3.9 p -90.64 127.46 43.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.816 0.341 . . . . 0.0 110.484 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.8 t -119.87 135.6 59.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.79 -171.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -133.53 117.02 16.64 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 173.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.625 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 45.9 mt-10 -107.43 138.7 43.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.1 0.476 . . . . 0.0 111.973 -176.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.523 ' HB ' ' HD2' ' A' ' 84' ' ' PRO . 17.3 m -141.86 165.46 27.83 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.49 175.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.766 ' HG2' ' HB2' ' A' ' 87' ' ' ALA . 28.3 Cg_endo -64.78 147.98 89.88 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 121.813 1.675 . . . . 0.0 111.024 172.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.418 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 14.5 p -60.4 -32.86 52.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.951 0.405 . . . . 0.0 111.729 -175.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.3 m -74.29 -18.74 60.67 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -178.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.766 ' HB2' ' HG2' ' A' ' 84' ' ' PRO . . . -62.67 -55.85 34.97 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -173.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.632 ' HD3' ' HB3' ' A' ' 87' ' ' ALA . 29.3 Cg_exo -63.22 -8.99 15.75 Favored 'Trans proline' 0 C--N 1.358 1.059 0 C-N-CA 122.649 2.233 . . . . 0.0 113.586 -174.474 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.468 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 61.6 mt -64.68 -42.43 95.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.068 0.461 . . . . 0.0 109.875 176.247 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -98.95 -50.81 4.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.554 175.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.652 ' HB3' ' HB3' ' A' ' 94' ' ' LYS . 2.8 m-20 -88.04 38.74 0.86 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.328 -173.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.443 ' HB1' ' HA3' ' A' ' 28' ' ' GLY . . . -53.1 -52.28 59.12 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -171.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.456 ' HA ' HD12 ' A' ' 96' ' ' ILE . 2.4 mp0 -77.54 -23.22 50.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.043 0.449 . . . . 0.0 110.463 -177.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.652 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 66.4 tttm -73.07 -39.42 65.88 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.76 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 91' ' ' ASP . 87.5 t -60.21 -38.95 79.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.302 175.434 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.456 HD12 ' HA ' ' A' ' 93' ' ' GLU . 76.1 mt -61.34 -49.18 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.318 175.464 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -61.27 -36.29 79.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.991 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.69 -41.44 95.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.59 79.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.802 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.94 -28.36 70.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.07 0.462 . . . . 0.0 110.92 177.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.714 ' HA ' ' HA ' ' A' ' 105' ' ' GLU . . . -66.56 -17.2 64.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.83 179.408 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -83.95 -9.05 58.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.597 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.436 HG23 HG21 ' A' ' 79' ' ' VAL . 24.5 pt -122.75 -33.21 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.761 178.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.403 ' O ' ' HG2' ' A' ' 105' ' ' GLU . 5.6 m-20 -140.65 -49.5 0.44 Allowed 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.765 -0.198 . . . . 0.0 111.487 -178.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.714 ' HA ' ' HA ' ' A' ' 101' ' ' ALA . 0.8 OUTLIER 77.14 -1.59 2.76 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 124.419 1.074 . . . . 0.0 110.183 -172.828 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 86.0 tttt . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.357 -0.83 . . . . 0.0 109.259 174.255 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.4 mmt . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 34.6 mtmm -63.5 108.41 1.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.299 0.374 . . . . 0.0 111.893 -173.187 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.467 ' HE ' ' CD ' ' A' ' 59' ' ' GLU . 1.7 tpt180 -103.71 167.2 9.94 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.288 -0.414 . . . . 0.0 109.945 175.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.529 ' CB ' ' HA2' ' A' ' 58' ' ' GLY . 65.5 mmtt -99.72 111.14 23.49 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.604 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 57.1 mt -120.94 128.24 76.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.777 0.322 . . . . 0.0 111.273 -178.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.641 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -112.01 132.75 59.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 171.421 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.602 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -137.82 147.1 44.27 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.902 0.382 . . . . 0.0 111.392 -174.633 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.476 HG11 HG11 ' A' ' 69' ' ' VAL . 57.3 t -121.98 124.71 71.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.464 177.662 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.3 p -109.54 128.28 55.08 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.043 176.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.72 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . . . -151.11 149.58 29.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.151 -176.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.972 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 18.6 t -158.32 144.48 17.17 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 176.361 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.536 ' HB2' ' HB ' ' A' ' 67' ' ' THR . . . -102.59 -44.34 5.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.74 0.305 . . . . 0.0 111.217 -177.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.9 m -91.63 -61.81 1.56 Allowed 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.143 -178.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.58 68.11 3.53 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.835 -0.697 . . . . 0.0 111.899 178.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.469 HG12 ' HE2' ' A' ' 19' ' ' TYR . 45.2 t -50.26 -37.27 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -173.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.65 -24.74 66.92 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -177.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -66.88 -34.6 78.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.33 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.3 m -57.37 -48.09 79.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.231 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.469 ' HE2' HG12 ' A' ' 15' ' ' VAL . 69.0 m-85 -80.86 -21.07 41.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.017 -172.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.1 tpt -80.82 -48.71 12.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.709 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.77 -36.72 79.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.577 -176.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.88 -46.24 82.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.325 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.474 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 10.9 mm-40 -80.41 -32.55 37.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.354 -178.098 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.14 -43.61 97.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.963 0.411 . . . . 0.0 110.199 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.6 mt -60.34 -38.86 85.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.802 175.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.452 ' HE3' HG22 ' A' ' 38' ' ' VAL . 15.1 mttp -62.07 -49.17 77.02 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.937 177.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -59.57 -43.34 93.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.596 -178.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.64 -41.73 95.83 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.234 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.3 -42.91 96.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.888 0.375 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.426 ' HD3' ' O ' ' A' ' 26' ' ' LYS . 5.4 mptp? -69.95 -29.79 67.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.066 178.552 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -64.23 -43.47 94.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.056 0.455 . . . . 0.0 110.24 176.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.443 ' HB2' HD22 ' A' ' 34' ' ' ASN . 16.3 mmt -72.79 -34.88 67.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.705 177.262 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 2' ' ' LYS . . . 103.88 55.47 0.78 Allowed Glycine 0 C--O 1.225 -0.424 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.107 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.443 HD22 ' HB2' ' A' ' 32' ' ' MET . 38.2 m-80 -132.99 170.41 15.4 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.137 0.494 . . . . 0.0 111.454 -176.224 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.404 ' CD2' ' HB3' ' A' ' 2' ' ' LYS . 3.0 mm? -106.57 124.52 49.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.051 175.07 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 17.1 tt -128.53 136.59 59.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.345 0.593 . . . . 0.0 111.397 -175.004 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -116.04 106.03 13.3 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.876 175.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.602 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 16.9 m -102.07 143.49 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 CA-C-O 121.249 0.547 . . . . 0.0 111.439 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.63 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 36.1 tt0 -111.72 131.7 55.12 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.389 174.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.435 ' OG1' ' HB2' ' A' ' 47' ' ' GLU . 38.6 p -98.25 104.16 16.17 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 121.371 0.605 . . . . 0.0 110.329 177.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.72 ' HB3' ' HB2' ' A' ' 10' ' ' ALA . 7.3 tp-100 -89.92 85.13 6.28 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 176.42 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.14 58.1 4.61 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.051 -175.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 62.63 85.41 0.13 Allowed 'General case' 0 C--O 1.235 0.317 0 C-N-CA 122.936 0.494 . . . . 0.0 110.784 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.7 m 75.79 -36.15 0.28 Allowed 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.009 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.27 113.17 4.26 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.39 -176.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.576 HG12 HE22 ' A' ' 41' ' ' GLN . 16.4 mt -90.34 130.37 39.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -178.033 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.435 ' HB2' ' OG1' ' A' ' 40' ' ' THR . 50.0 mt-10 -102.69 -47.0 4.56 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.425 -0.51 . . . . 0.0 111.485 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.616 ' HB2' ' HA ' ' A' ' 39' ' ' GLU . 14.3 m120 -81.05 -61.02 2.08 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 121.084 -0.247 . . . . 0.0 111.001 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.61 ' H ' ' HG3' ' A' ' 39' ' ' GLU . 53.6 tt0 66.55 99.32 0.05 OUTLIER 'General case' 0 C--O 1.233 0.186 0 O-C-N 123.803 0.69 . . . . 0.0 110.585 -177.189 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.63 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 87.0 mt -82.86 132.19 35.17 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.46 177.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.459 ' O ' HG23 ' A' ' 55' ' ' VAL . 38.1 p -91.55 157.78 16.82 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.933 -173.414 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -49.42 -45.14 45.96 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.984 0.421 . . . . 0.0 110.458 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.418 ' O ' HG12 ' A' ' 57' ' ' ILE . 89.0 tttt -64.24 -45.03 89.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.019 -178.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -69.97 -39.32 76.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.581 -176.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.699 HG21 ' HG3' ' A' ' 74' ' ' ARG . 81.8 t -64.3 -37.56 80.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.956 177.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -68.84 -21.54 64.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.286 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 53' ' ' LYS . 48.9 mm -70.78 -45.48 73.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 175.162 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.529 ' HA2' ' CB ' ' A' ' 4' ' ' LYS . . . -65.71 154.26 50.92 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.333 177.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.467 ' CD ' ' HE ' ' A' ' 3' ' ' ARG . 33.7 mt-10 -108.75 -53.62 2.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.636 0.255 . . . . 0.0 110.975 -177.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.464 ' HA ' HG13 ' A' ' 79' ' ' VAL . 22.8 m -102.57 141.08 19.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.813 0.339 . . . . 0.0 110.659 178.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.541 HG22 HD11 ' A' ' 6' ' ' ILE . 21.6 t -110.82 128.79 66.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.7 -177.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.435 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 65.8 mt -110.8 127.62 67.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.132 177.437 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -119.57 112.19 19.02 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.949 0.404 . . . . 0.0 110.959 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.65 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -113.69 90.84 3.45 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 171.669 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.542 HG12 ' HB3' ' A' ' 10' ' ' ALA . 24.1 m -131.66 138.69 52.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.672 0.748 . . . . 0.0 112.622 -168.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.972 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 16.0 t70 -114.27 -1.87 13.48 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.416 -1.266 . . . . 0.0 109.212 173.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.536 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 11.3 t -143.9 174.24 11.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.52 -178.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.433 ' HE2' ' HB3' ' A' ' 68' ' ' LYS . 35.4 ttpt -70.97 141.25 51.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.325 -177.548 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.609 ' HB ' ' HB2' ' A' ' 72' ' ' LYS . 46.2 t -114.86 126.18 72.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.021 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -82.16 -35.51 28.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.785 -175.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.449 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 11.5 m120 -82.16 -7.22 59.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.709 0.29 . . . . 0.0 111.069 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.609 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 44.1 tttm -50.2 -28.26 7.24 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.144 -178.44 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -51.33 -34.93 35.77 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -175.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.699 ' HG3' HG21 ' A' ' 55' ' ' VAL . 12.7 ptp180 -83.55 -7.19 59.57 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -174.165 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.493 ' HD2' ' HA ' ' A' ' 72' ' ' LYS . 33.3 m-85 -96.53 -1.36 47.29 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.188 0.518 . . . . 0.0 109.788 174.294 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.0 140.19 35.33 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.946 179.465 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.96 23.3 45.96 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -171.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.65 ' HE3' ' O ' ' A' ' 74' ' ' ARG . 5.8 mtmm -139.03 -158.37 0.85 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.886 -0.657 . . . . 0.0 109.662 -179.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.464 HG13 ' HA ' ' A' ' 60' ' ' VAL . 4.8 p -110.19 107.24 22.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.35 0.595 . . . . 0.0 110.737 -177.105 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.5 t -107.3 115.17 48.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.578 -175.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.636 HD23 HD11 ' A' ' 102' ' ' LEU . 3.2 tm? -98.87 102.04 13.64 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 172.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -104.9 123.62 48.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.425 -171.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.0 m -134.66 163.76 48.87 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.049 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -59.06 143.79 99.64 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.255 1.97 . . . . 0.0 111.329 173.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.65 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 14.3 p -64.85 -23.53 33.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.992 0.425 . . . . 0.0 111.768 -175.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.8 m -73.96 -20.04 60.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.457 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.419 ' N ' ' HD2' ' A' ' 88' ' ' PRO . . . -70.17 -54.52 9.32 Favored Pre-proline 0 CA--C 1.538 0.499 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -174.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.436 ' HG3' ' CB ' ' A' ' 64' ' ' ALA . 57.4 Cg_endo -69.01 3.68 2.28 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 122.58 2.187 . . . . 0.0 113.75 -175.16 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 52.2 mt -81.32 -38.96 16.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.371 0.605 . . . . 0.0 109.385 174.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -97.2 -52.09 3.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.119 176.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.574 ' O ' HG23 ' A' ' 95' ' ' VAL . 7.2 m-20 -93.46 37.37 1.05 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.105 -173.438 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.73 -53.29 54.21 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -172.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -68.69 -29.33 67.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.583 0.706 . . . . 0.0 110.357 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.481 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 64.0 tttt -72.88 -35.87 67.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.271 -177.142 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 91' ' ' ASP . 95.7 t -65.73 -41.81 91.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.463 175.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.459 ' O ' HD23 ' A' ' 100' ' ' LEU . 80.3 mt -62.79 -48.64 87.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.578 177.256 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -62.82 -26.56 68.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 178.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.15 -37.99 89.16 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.705 0.288 . . . . 0.0 110.649 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.09 84.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.266 0.555 . . . . 0.0 109.913 176.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.459 HD23 ' O ' ' A' ' 96' ' ' ILE . 4.3 mm? -66.33 -30.68 71.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.854 177.198 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.952 ' HA ' ' HA ' ' A' ' 105' ' ' GLU . . . -68.2 -17.56 64.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.315 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.636 HD11 HD23 ' A' ' 81' ' ' LEU . 90.0 mt -79.58 -36.59 37.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.984 179.331 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.412 HG13 ' N ' ' A' ' 104' ' ' ASP . 25.5 pt -96.9 -46.91 12.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -175.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.412 ' N ' HG13 ' A' ' 103' ' ' ILE . 46.8 m-20 -109.55 -35.62 6.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.677 0.275 . . . . 0.0 111.273 -177.527 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.952 ' HA ' ' HA ' ' A' ' 101' ' ' ALA . 29.4 tt0 63.15 72.27 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.747 -170.681 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.4 ' HD3' ' HB3' ' A' ' 104' ' ' ASP . 54.7 mtpt . . . . . 0 C--O 1.249 1.049 0 CA-C-N 114.964 -1.017 . . . . 0.0 109.723 -177.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.483 1.219 0 CA-C-O 121.213 0.53 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -136.22 100.53 4.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.459 177.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.9 tpp180 -65.66 125.45 25.3 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.795 ' HE2' HD12 ' A' ' 35' ' ' LEU . 34.0 mmtp -89.36 117.8 28.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.299 -179.097 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.57 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 56.2 mt -128.9 135.52 61.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 120.889 0.376 . . . . 0.0 110.871 -178.29 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.786 HD11 HG22 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -114.78 138.02 46.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 171.47 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.442 ' HA ' ' O ' ' A' ' 62' ' ' ILE . . . -132.89 133.26 43.04 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.095 -174.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.2 t -109.82 130.71 62.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' A' ' 64' ' ' ALA . 14.8 p -114.2 130.03 56.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.042 -179.194 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.519 ' HB3' HG12 ' A' ' 65' ' ' VAL . . . -147.2 158.02 43.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.577 -179.175 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.639 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 49.0 t -176.22 -34.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.94 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 70.15 -69.16 0.18 Allowed 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.835 0.71 . . . . 0.0 111.667 177.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.8 m -70.5 -48.36 56.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.861 0.362 . . . . 0.0 110.716 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.4 73.92 2.58 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.728 -0.748 . . . . 0.0 111.685 177.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.1 t -59.6 -49.39 83.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 122.404 0.281 . . . . 0.0 111.464 -176.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.77 -36.0 82.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.139 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -64.14 -34.15 77.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.523 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 29.2 m -64.09 -48.84 74.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.614 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -67.07 -38.87 86.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.614 178.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 50.4 tpp -58.86 -53.55 57.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.921 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.09 91.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.049 -178.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.67 -49.03 79.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.257 0.551 . . . . 0.0 110.94 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -72.38 -30.14 64.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.319 -178.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.94 -40.93 62.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.625 0.25 . . . . 0.0 110.867 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.498 HD21 ' HB3' ' A' ' 88' ' ' PRO . 60.6 mt -60.4 -47.09 87.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.769 175.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.624 ' HA ' HG21 ' A' ' 36' ' ' ILE . 40.7 ttmt -61.97 -42.86 99.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.183 177.384 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -55.68 -50.34 70.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.0 177.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.82 -35.95 73.7 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.005 -0.617 . . . . 0.0 112.678 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.6 -48.45 77.32 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.589 0.233 . . . . 0.0 111.155 -178.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -69.83 -25.81 63.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.756 0.313 . . . . 0.0 110.513 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -68.45 -45.37 72.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.13 176.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 91.4 mmm -75.96 -18.45 59.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.437 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.25 41.87 4.15 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.712 177.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -123.23 179.18 4.79 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.795 HD12 ' HE2' ' A' ' 4' ' ' LYS . 94.5 mt -121.04 125.02 46.25 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 179.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.624 HG21 ' HA ' ' A' ' 26' ' ' LYS . 14.3 tt -129.89 138.36 54.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.193 0.52 . . . . 0.0 111.89 -174.538 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' HB2' HG22 ' A' ' 6' ' ' ILE . 14.0 mmmm -116.53 108.57 16.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.224 172.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.0 p -100.97 137.63 27.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.293 0.568 . . . . 0.0 111.82 -174.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.794 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 39.1 tt0 -111.53 142.87 43.26 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.173 176.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.648 ' HB ' ' HB2' ' A' ' 47' ' ' GLU . 34.4 m -111.67 109.95 20.08 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 177.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.798 HE21 HG23 ' A' ' 46' ' ' ILE . 16.9 tt0 -134.85 102.09 5.13 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -174.625 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.74 -50.75 62.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.619 -0.801 . . . . 0.0 111.877 -177.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 179.38 -46.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 177.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.1 m -117.73 -24.91 7.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.281 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.46 137.76 14.28 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.798 HG23 HE21 ' A' ' 41' ' ' GLN . 5.2 mm -119.89 116.18 49.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 -174.375 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.648 ' HB2' ' HB ' ' A' ' 40' ' ' THR . 28.1 mt-10 -113.82 137.41 51.69 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 177.293 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 58.9 t30 72.93 -57.62 0.63 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.989 0.916 . . . . 0.0 110.204 -173.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 64.07 103.13 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.281 0.632 . . . . 0.0 111.538 176.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.794 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 83.0 mt -81.42 110.02 16.45 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.523 -179.078 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 55' ' ' VAL . 33.4 p -73.17 166.17 23.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.526 177.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -51.56 -32.4 28.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.687 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.592 ' O ' HG12 ' A' ' 57' ' ' ILE . 1.3 tmmt? -60.95 -57.72 11.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.196 178.579 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -66.25 -34.91 79.08 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.111 0.482 . . . . 0.0 110.923 -176.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.536 HG11 ' HG3' ' A' ' 74' ' ' ARG . 73.2 t -61.04 -37.44 77.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.248 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -93.41 7.25 45.23 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.926 0.394 . . . . 0.0 111.415 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.592 HG12 ' O ' ' A' ' 53' ' ' LYS . 36.7 mm -82.71 -49.71 16.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 169.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.531 ' HA2' ' HB3' ' A' ' 4' ' ' LYS . . . -68.59 144.07 41.54 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.965 177.444 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 8.6 pt-20 -99.61 -29.99 12.38 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.662 0.267 . . . . 0.0 110.775 -176.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.594 HG21 ' HB1' ' A' ' 99' ' ' ALA . 8.7 p -125.11 144.57 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 174.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.786 HG22 HD11 ' A' ' 6' ' ' ILE . 11.0 t -112.33 132.05 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.906 0.384 . . . . 0.0 111.062 -176.069 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.442 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 65.3 mt -112.93 127.95 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.052 176.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.443 ' CD1' HG13 ' A' ' 80' ' ' VAL . 58.7 m-85 -111.77 104.47 12.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.758 177.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.437 ' O ' ' HA ' ' A' ' 9' ' ' THR . . . -96.75 89.92 5.1 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 170.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.519 HG12 ' HB3' ' A' ' 10' ' ' ALA . 27.7 m -136.22 149.77 27.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.336 0.588 . . . . 0.0 111.679 -170.119 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.639 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 13.3 t70 -116.51 5.3 13.35 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.875 0.845 . . . . 0.0 108.756 173.596 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.8 t -155.91 -171.66 3.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.845 -1.071 . . . . 0.0 109.208 -178.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -86.63 167.74 14.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.922 0.391 . . . . 0.0 110.607 -178.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.544 ' CG2' ' HB2' ' A' ' 72' ' ' LYS . 23.2 m -136.87 170.54 18.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.915 176.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -94.28 -49.18 5.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.323 0.582 . . . . 0.0 110.912 -175.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.618 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 11.0 m120 -74.32 -5.66 43.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.276 -171.553 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.544 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 26.8 ttpp -45.76 -32.05 2.32 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -58.95 -26.09 64.11 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -173.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.618 ' HG2' ' O ' ' A' ' 71' ' ' ASN . 10.9 ptp180 -89.13 -16.07 32.33 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 122.008 -0.432 . . . . 0.0 111.484 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.641 ' HB3' HG11 ' A' ' 61' ' ' VAL . 51.5 m-85 -96.03 -18.78 19.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.202 0.525 . . . . 0.0 110.313 179.054 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.63 -47.64 83.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.935 -1.03 . . . . 0.0 112.713 -170.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -84.06 29.07 3.93 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.754 -0.736 . . . . 0.0 113.071 -175.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.484 ' HE3' HG12 ' A' ' 55' ' ' VAL . 60.4 mttm -121.97 -105.65 0.37 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.067 0.461 . . . . 0.0 109.87 177.674 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.592 HG21 HG21 ' A' ' 103' ' ' ILE . 38.5 t -138.72 115.24 10.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.443 HG13 ' CD1' ' A' ' 63' ' ' PHE . 57.7 t -109.99 104.74 17.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.082 0.467 . . . . 0.0 111.689 -173.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.458 HD23 HD11 ' A' ' 102' ' ' LEU . 2.5 tm? -100.12 101.12 12.09 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 172.08 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -104.24 124.12 48.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.152 -174.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.3 m -140.44 158.42 66.26 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.05 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.41 ' O ' ' HD3' ' A' ' 88' ' ' PRO . 32.4 Cg_exo -59.01 144.41 99.38 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.34 2.027 . . . . 0.0 111.344 175.343 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.42 HG11 ' HB2' ' A' ' 11' ' ' CYS . 8.7 p -63.71 -20.38 26.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-O 121.074 0.464 . . . . 0.0 111.555 -175.34 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.1 p -73.93 -27.78 61.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.186 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.533 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -68.03 -52.64 22.82 Favored Pre-proline 0 CA--C 1.539 0.53 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -172.513 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.533 ' HD3' ' HB3' ' A' ' 87' ' ' ALA . 16.6 Cg_exo -68.75 1.23 3.96 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 122.54 2.16 . . . . 0.0 113.459 -175.475 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 52.0 mt -70.02 -48.74 61.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.047 0.451 . . . . 0.0 110.08 177.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -96.35 -49.2 5.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.092 175.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.44 ' O ' HG23 ' A' ' 95' ' ' VAL . 73.2 m-20 -103.37 40.64 1.37 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.872 -169.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 88' ' ' PRO . . . -53.81 -37.18 63.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.064 0.459 . . . . 0.0 110.382 175.202 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -56.13 -45.69 79.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.704 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -73.1 -32.22 64.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.768 -178.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 91' ' ' ASP . 60.1 t -70.01 -41.36 79.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.05 0.452 . . . . 0.0 110.605 178.141 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.82 -48.43 88.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.328 178.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -71.19 -21.04 62.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.324 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.02 -40.26 82.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.839 0.352 . . . . 0.0 110.34 177.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.594 ' HB1' HG21 ' A' ' 60' ' ' VAL . . . -67.22 -44.62 79.05 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.317 178.045 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.68 -35.46 79.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.474 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.74 -17.53 63.12 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -178.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.458 HD11 HD23 ' A' ' 81' ' ' LEU . 71.0 mt -81.38 -44.37 17.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.931 0.395 . . . . 0.0 111.121 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.592 HG21 HG21 ' A' ' 79' ' ' VAL . 30.7 pt -101.95 -36.92 4.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -173.336 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -105.62 -20.79 13.36 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -176.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 57.78 71.77 0.56 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.412 178.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.199 -0.905 . . . . 0.0 109.909 179.634 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.481 1.113 0 CA-C-O 120.783 0.325 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 2' ' ' LYS . 37.5 mmtm -94.85 62.43 2.66 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.25 0.547 . . . . 0.0 109.776 175.058 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.755 ' HG3' ' HG3' ' A' ' 59' ' ' GLU . 3.5 tpt180 -75.13 129.84 38.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.949 -176.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.446 ' HE3' HD12 ' A' ' 35' ' ' LEU . 38.5 mmtm -77.65 125.3 29.13 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 176.568 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 66.0 mt -131.4 133.38 62.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 120.73 0.3 . . . . 0.0 110.74 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.58 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -112.53 129.2 68.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 172.232 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.416 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -134.97 139.98 45.33 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -175.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.8 t -118.33 129.02 75.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.12 178.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.523 ' HA ' ' O ' ' A' ' 64' ' ' ALA . 11.0 p -116.47 118.56 33.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.7 178.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.552 ' HA ' ' O ' ' A' ' 41' ' ' GLN . . . -133.64 123.47 25.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.765 0.317 . . . . 0.0 111.684 -177.122 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.554 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 52.7 t -131.04 -9.79 3.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.619 175.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.429 ' HB3' HG21 ' A' ' 67' ' ' THR . . . 56.28 -89.23 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.384 0.674 . . . . 0.0 112.25 179.234 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.0 p -89.04 95.22 10.23 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.033 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 140.91 69.12 0.03 OUTLIER Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -176.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.5 m -58.29 -30.12 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 122.285 0.234 . . . . 0.0 111.599 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.92 -35.48 78.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.014 0.435 . . . . 0.0 110.894 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -84.28 -31.19 25.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.821 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.554 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 24.4 m -70.91 -57.09 4.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.208 -177.525 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -67.5 -39.48 85.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.539 -176.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 37.7 ttp -64.96 -43.55 92.33 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.08 -178.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.39 96.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.918 0.39 . . . . 0.0 110.714 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.493 ' O ' ' HG3' ' A' ' 26' ' ' LYS . . . -62.99 -43.14 99.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.478 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.594 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 4.7 pt20 -80.76 -31.31 35.93 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.299 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.34 -39.53 92.5 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 120.975 0.417 . . . . 0.0 110.24 178.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.544 ' HG ' ' HB2' ' A' ' 88' ' ' PRO . 3.0 mt -57.51 -43.6 84.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.617 172.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.493 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 63.4 mttp -60.55 -40.53 91.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.487 178.383 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.594 ' HG2' ' O ' ' A' ' 23' ' ' GLN . 75.7 mmtt -55.7 -55.8 27.95 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.811 179.004 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.79 -37.22 94.49 Favored Glycine 0 CA--C 1.519 0.301 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.704 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.2 -49.68 68.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.627 0.251 . . . . 0.0 111.362 -178.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 16.7 ptpt -69.57 -26.16 64.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.804 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.43 -43.02 95.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.198 0.523 . . . . 0.0 110.24 177.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 86.4 mtp -82.14 -14.22 56.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.263 177.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.8 35.97 12.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.137 -0.554 . . . . 0.0 113.144 174.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -104.51 172.79 6.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.701 0.286 . . . . 0.0 110.766 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.446 HD12 ' HE3' ' A' ' 4' ' ' LYS . 97.3 mt -112.09 110.75 21.21 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.436 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 15.1 tt -121.7 145.15 28.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.341 0.591 . . . . 0.0 111.968 -172.216 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -115.95 112.32 21.68 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.167 170.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.423 HG11 ' HA ' ' A' ' 22' ' ' ALA . 40.0 t -101.92 124.19 55.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.392 -177.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -95.71 123.66 39.38 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.606 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.802 ' HB ' ' HB3' ' A' ' 47' ' ' GLU . 18.0 m -86.78 107.12 18.13 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.589 ' OE1' HG12 ' A' ' 46' ' ' ILE . 54.2 tp60 -113.99 130.61 56.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.429 -176.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.12 -93.51 1.02 Allowed Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 172.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -125.03 -58.16 1.48 Allowed 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 173.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.3 m -126.9 6.25 6.62 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.743 0.782 . . . . 0.0 109.562 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.38 133.95 11.42 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.373 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.589 HG12 ' OE1' ' A' ' 41' ' ' GLN . 5.6 mt -116.61 141.66 33.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 -174.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.802 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 32.1 tt0 -92.17 -42.28 9.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.137 0.494 . . . . 0.0 110.746 177.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -98.9 -57.81 2.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.387 -173.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.84 86.54 0.13 Allowed 'General case' 0 C--O 1.235 0.324 0 O-C-N 124.083 0.864 . . . . 0.0 109.692 -176.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.41 ' O ' ' HD2' ' A' ' 74' ' ' ARG . 6.3 mp -78.06 123.49 26.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.823 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.592 ' O ' HG23 ' A' ' 55' ' ' VAL . 67.6 p -88.49 163.57 15.86 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -173.438 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -55.23 -27.63 47.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.145 0.498 . . . . 0.0 109.833 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.521 ' O ' HG13 ' A' ' 57' ' ' ILE . 33.1 mmtp -61.44 -54.06 48.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.969 176.174 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -66.46 -43.47 85.43 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.562 0.696 . . . . 0.0 110.2 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 51' ' ' THR . 98.7 t -63.41 -32.25 55.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.518 -175.587 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -78.89 -15.72 57.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.55 0.214 . . . . 0.0 111.35 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' ' 53' ' ' LYS . 81.5 mt -77.59 -46.12 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.758 0.313 . . . . 0.0 110.193 178.173 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.43 ' HA3' HD12 ' A' ' 6' ' ' ILE . . . -59.35 144.71 45.29 Favored Glycine 0 CA--C 1.519 0.34 0 CA-C-N 115.971 -0.558 . . . . 0.0 113.329 179.22 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.755 ' HG3' ' HG3' ' A' ' 3' ' ' ARG . 4.1 mm-40 -78.57 -54.79 5.76 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.182 0.515 . . . . 0.0 110.087 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.45 ' HA ' HG13 ' A' ' 79' ' ' VAL . 20.7 m -123.69 155.0 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.262 -179.514 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.486 HG22 HD11 ' A' ' 6' ' ' ILE . 25.0 t -110.43 122.34 64.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.861 0.362 . . . . 0.0 110.542 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.416 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 69.4 mt -104.54 110.68 31.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.976 177.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.462 ' HE2' HG11 ' A' ' 69' ' ' VAL . 0.8 OUTLIER -103.16 96.52 6.84 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.825 -179.396 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.597 ' HA ' ' O ' ' A' ' 83' ' ' VAL . . . -96.49 89.7 5.12 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 173.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.96 139.12 41.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.005 -172.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.65 -4.51 10.27 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.135 175.364 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.447 ' HB ' ' H ' ' A' ' 68' ' ' LYS . 30.9 p -131.29 -160.74 1.07 Allowed 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.625 -177.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.447 ' H ' ' HB ' ' A' ' 67' ' ' THR . 51.8 tttp -75.62 143.71 42.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.785 -176.588 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.462 HG11 ' HE2' ' A' ' 63' ' ' PHE . 2.7 p -142.84 119.7 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.011 176.463 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -89.71 -25.24 21.29 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.741 -174.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -80.98 -6.51 58.85 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.054 -175.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -55.52 -23.75 28.06 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.477 0.656 . . . . 0.0 109.51 177.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.565 ' HB3' HH21 ' A' ' 74' ' ' ARG . 10.4 tp10 -41.13 -39.12 1.2 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 114.2 -1.364 . . . . 0.0 111.664 171.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.565 HH21 ' HB3' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -69.75 -55.31 10.23 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.019 0.438 . . . . 0.0 111.315 -179.031 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -79.94 3.58 19.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.914 -170.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -60.51 -39.54 88.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.911 0.386 . . . . 0.0 111.308 -170.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -95.48 14.74 64.51 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.627 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -110.36 -179.92 3.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.623 -0.339 . . . . 0.0 110.657 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.45 HG13 ' HA ' ' A' ' 60' ' ' VAL . 3.4 p -83.89 100.81 7.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.58 0.705 . . . . 0.0 110.35 -177.097 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 84.3 t -112.51 128.28 69.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.799 -173.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.8 tp -102.52 117.76 35.4 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 168.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -96.92 102.11 13.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.53 0.681 . . . . 0.0 110.36 -177.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.597 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -111.92 145.19 32.21 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.484 -177.157 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -57.11 143.63 92.49 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.749 2.3 . . . . 0.0 111.79 175.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 8.3 p -62.03 -22.01 27.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.635 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -171.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.2 m -74.68 -28.73 60.95 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.465 ' N ' ' HD2' ' A' ' 88' ' ' PRO . . . -60.58 -51.61 78.62 Favored Pre-proline 0 CA--C 1.542 0.64 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -170.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.544 ' HB2' ' HG ' ' A' ' 25' ' ' LEU . 37.1 Cg_endo -64.14 -5.86 10.29 Favored 'Trans proline' 0 C--N 1.356 0.957 0 C-N-CA 122.402 2.068 . . . . 0.0 113.76 -174.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 59.0 mt -82.33 -37.93 14.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.803 0.335 . . . . 0.0 110.409 179.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -96.07 -38.62 10.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.935 0.398 . . . . 0.0 111.417 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.802 ' HB3' ' HB3' ' A' ' 94' ' ' LYS . 30.4 m-20 -123.07 43.01 3.05 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.746 -170.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.733 ' O ' HG12 ' A' ' 95' ' ' VAL . . . -54.19 -47.12 72.43 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.415 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -64.83 -33.01 74.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.392 0.615 . . . . 0.0 110.183 178.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.802 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 38.0 ttmt -74.43 -39.1 62.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.207 -176.681 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.733 HG12 ' O ' ' A' ' 92' ' ' ALA . 3.6 p -66.07 -35.74 75.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.082 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.489 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 72.1 mt -62.5 -49.18 84.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.107 -0.952 . . . . 0.0 110.25 174.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -63.06 -34.57 77.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.065 178.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.44 96.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.821 178.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.88 -33.22 75.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.04 0.447 . . . . 0.0 110.563 177.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 92.9 mt -66.04 -29.12 69.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.967 177.584 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.891 ' HA ' ' HA ' ' A' ' 105' ' ' GLU . . . -62.22 -22.9 66.32 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -178.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 102' ' ' LEU . 4.3 mm? -66.54 -39.34 88.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.685 -178.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 104' ' ' ASP . 28.2 pt -115.93 -45.51 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -177.039 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.421 ' N ' HG13 ' A' ' 103' ' ' ILE . 2.0 m-20 -84.65 -41.3 16.47 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.824 0.345 . . . . 0.0 110.295 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.891 ' HA ' ' HA ' ' A' ' 101' ' ' ALA . 39.2 tt0 59.86 82.91 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.666 -177.223 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt . . . . . 0 C--O 1.247 0.96 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.957 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 120.818 0.342 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -103.12 84.16 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.962 0.41 . . . . 0.0 110.661 178.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 -77.68 122.7 25.7 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 176.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.903 ' HD2' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -85.43 116.23 23.62 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.656 179.062 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.625 HG23 HG23 ' A' ' 60' ' ' VAL . 42.9 mt -126.26 132.83 70.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.141 -171.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.705 HG13 ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -106.6 125.29 62.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 171.562 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -131.21 127.84 38.73 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.812 -175.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.3 t -110.72 122.07 64.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.151 0.5 . . . . 0.0 110.588 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.4 p -104.89 121.13 43.05 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.514 175.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.426 ' HB3' HG12 ' A' ' 65' ' ' VAL . . . -153.54 99.64 2.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.551 0.215 . . . . 0.0 111.124 -177.049 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.722 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 48.7 t -116.69 143.07 46.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.679 0.276 . . . . 0.0 110.7 -178.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.452 ' HB2' ' HB ' ' A' ' 67' ' ' THR . . . -102.25 -14.19 17.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.175 0.512 . . . . 0.0 110.205 177.406 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.2 m -68.28 -58.79 3.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.299 178.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.76 125.22 2.78 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.899 -178.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.3 t -65.19 -42.09 93.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.857 0.361 . . . . 0.0 111.2 -177.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.75 -31.43 72.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.067 0.46 . . . . 0.0 110.924 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.6 m170 -69.78 -40.84 75.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.882 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.666 HG22 HG23 ' A' ' 40' ' ' THR . 25.7 m -56.48 -49.74 73.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.894 177.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.43 ' O ' ' HG3' ' A' ' 23' ' ' GLN . 38.7 t80 -73.77 -42.22 61.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.468 -173.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.559 ' HE2' HD13 ' A' ' 89' ' ' ILE . 40.8 ttp -66.36 -29.32 69.47 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 121.191 -0.203 . . . . 0.0 111.088 -177.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.546 ' HA ' HG12 ' A' ' 89' ' ' ILE . . . -60.57 -44.35 96.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.729 0.299 . . . . 0.0 110.347 177.089 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.6 -39.35 93.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.994 179.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 19' ' ' TYR . 47.2 mt-30 -65.66 -48.82 70.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.134 -178.214 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.11 -40.06 82.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.969 0.414 . . . . 0.0 110.684 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.464 ' HA ' ' HB1' ' A' ' 92' ' ' ALA . 45.6 tp -61.1 -43.04 99.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.452 177.31 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -59.65 -45.33 92.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.265 176.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -56.39 -44.86 80.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.747 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.95 -40.72 95.46 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.669 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.79 -41.17 79.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.797 0.332 . . . . 0.0 110.852 -178.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -63.62 -38.99 93.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.312 176.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -63.66 -31.01 72.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.272 -0.877 . . . . 0.0 111.052 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 22.9 mmt -90.7 -17.76 26.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.989 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.54 34.46 11.8 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.1 -0.572 . . . . 0.0 112.942 177.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -98.71 -178.19 3.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.945 0.402 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.493 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 90.7 mt -117.31 97.57 5.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.549 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.7 tt -109.73 139.47 32.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.217 0.532 . . . . 0.0 111.224 -175.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.606 ' HG3' HD22 ' A' ' 50' ' ' LEU . 21.8 tptm -122.55 100.81 7.12 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 173.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.9 p -101.34 143.52 14.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.661 -173.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.801 ' HG3' ' H ' ' A' ' 49' ' ' GLU . 30.2 tt0 -120.4 126.77 51.29 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.654 177.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.666 HG23 HG22 ' A' ' 18' ' ' THR . 90.9 m -99.92 114.62 27.98 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 171.626 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.621 ' HG3' HG12 ' A' ' 46' ' ' ILE . 8.4 tt0 -117.87 98.74 6.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.276 0.56 . . . . 0.0 110.225 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.73 60.5 4.66 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.707 -0.758 . . . . 0.0 111.889 -178.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 59.54 88.65 0.07 Allowed 'General case' 0 C--O 1.234 0.242 0 C-N-CA 122.978 0.511 . . . . 0.0 110.796 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.3 m 77.06 -39.78 0.34 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.69 -178.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -77.88 96.95 1.34 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.603 178.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.621 HG12 ' HG3' ' A' ' 41' ' ' GLN . 39.5 mt -95.09 127.03 47.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 120.706 0.288 . . . . 0.0 110.714 -176.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -82.5 -42.71 18.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.427 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.467 ' HB2' ' HA ' ' A' ' 39' ' ' GLU . 8.9 m120 -108.95 -60.58 1.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.062 -172.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.801 ' H ' ' HG3' ' A' ' 39' ' ' GLU . 34.4 tt0 76.05 111.46 0.07 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.991 0.917 . . . . 0.0 111.22 -177.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.617 HD13 ' HB ' ' A' ' 6' ' ' ILE . 38.7 mt -86.2 116.47 24.41 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.867 176.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.52 ' O ' HG23 ' A' ' 55' ' ' VAL . 72.9 p -81.41 166.6 20.25 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 -179.196 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -55.02 -33.62 62.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.34 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.445 ' O ' HG12 ' A' ' 57' ' ' ILE . 88.6 mttt -66.47 -43.96 84.03 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.673 178.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -58.12 -43.42 87.19 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.391 0.615 . . . . 0.0 109.787 176.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.563 HG11 ' HG3' ' A' ' 74' ' ' ARG . 70.1 t -64.74 -37.03 79.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.597 -1.183 . . . . 0.0 112.117 -177.025 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -80.49 -19.02 46.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.348 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 53' ' ' LYS . 44.3 mm -84.6 -57.42 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.561 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.547 ' HA3' HG23 ' A' ' 6' ' ' ILE . . . -57.99 128.92 48.72 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.449 176.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.449 ' HG3' ' HG2' ' A' ' 4' ' ' LYS . 43.4 mt-10 -85.81 -60.02 2.14 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.843 0.354 . . . . 0.0 110.674 -175.57 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.65 ' HA ' HG13 ' A' ' 79' ' ' VAL . 20.2 m -93.96 141.08 15.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.615 -177.121 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.648 HG22 HD11 ' A' ' 6' ' ' ILE . 17.9 t -109.56 113.65 44.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.335 -177.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 63.7 mt -93.7 113.29 28.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.989 0.423 . . . . 0.0 110.014 177.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.431 ' HD1' ' HA ' ' A' ' 63' ' ' PHE . 2.1 m-85 -105.53 102.53 11.98 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.126 0.489 . . . . 0.0 111.038 179.03 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.651 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -108.26 90.03 3.17 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 171.345 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.426 HG12 ' HB3' ' A' ' 10' ' ' ALA . 18.2 m -137.7 161.59 33.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.712 0.768 . . . . 0.0 112.349 -169.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.722 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 17.7 t70 -137.24 -2.69 2.01 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.131 -1.395 . . . . 0.0 108.978 178.209 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.452 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 5.9 t -141.82 -171.51 3.36 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.85 -176.555 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm -72.84 156.66 38.66 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.204 0.526 . . . . 0.0 111.549 -177.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.81 ' HB ' ' HB2' ' A' ' 72' ' ' LYS . 56.1 t -129.07 121.33 53.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.361 173.675 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -74.79 -34.88 62.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.691 0.282 . . . . 0.0 111.43 -176.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.57 HD21 ' HG3' ' A' ' 49' ' ' GLU . 87.0 m-20 -82.39 -7.14 59.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.463 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.81 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 38.5 ttpt -55.34 -29.36 58.18 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 122.772 0.429 . . . . 0.0 111.977 -175.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -51.23 -33.61 28.68 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -175.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.563 ' HG3' HG11 ' A' ' 55' ' ' VAL . 7.5 ptp180 -87.17 -15.77 37.34 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -174.135 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.705 ' CE1' HG13 ' A' ' 6' ' ' ILE . 40.5 m-85 -88.91 3.7 50.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.849 0.357 . . . . 0.0 110.258 176.072 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -56.31 -51.88 66.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.457 -176.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -96.82 36.52 3.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.64 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -129.17 173.62 10.31 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.65 HG13 ' HA ' ' A' ' 60' ' ' VAL . 4.2 p -82.08 119.48 31.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.283 0.563 . . . . 0.0 110.979 -176.492 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.8 t -113.61 135.04 54.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.858 -173.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -111.4 115.34 29.1 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 173.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -96.13 120.4 36.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 -173.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.566 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 5.2 m -141.75 154.72 66.22 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.29 174.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.85 151.56 74.03 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.222 1.948 . . . . 0.0 110.737 173.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.651 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 9.1 p -62.7 -23.4 32.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.124 0.488 . . . . 0.0 110.958 -177.518 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.0 m -74.02 -19.44 60.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.75 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.597 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -71.63 -55.63 5.56 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -174.315 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.597 ' HD3' ' HB3' ' A' ' 87' ' ' ALA . 30.6 Cg_exo -62.89 -14.56 41.76 Favored 'Trans proline' 0 C--N 1.359 1.082 0 C-N-CA 122.491 2.127 . . . . 0.0 113.469 -174.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.559 HD13 ' HE2' ' A' ' 20' ' ' MET . 50.9 mt -73.6 -44.67 52.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.094 0.473 . . . . 0.0 110.57 179.06 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -96.47 -31.11 12.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.602 -178.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.58 ' HB3' ' HB2' ' A' ' 94' ' ' LYS . 20.6 m-20 -124.79 42.23 3.32 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -173.426 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.464 ' HB1' ' HA ' ' A' ' 25' ' ' LEU . . . -52.55 -52.04 56.82 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -178.057 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -61.72 -27.28 68.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.707 0.289 . . . . 0.0 111.367 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.58 ' HB2' ' HB3' ' A' ' 91' ' ' ASP . 30.4 mmtp -73.03 -46.86 49.55 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.547 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 91' ' ' ASP . 65.2 t -60.65 -40.12 83.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.073 -179.477 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 90.8 mt -61.52 -48.92 86.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.679 178.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -65.98 -28.96 69.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.38 -40.53 97.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.973 0.416 . . . . 0.0 110.68 178.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.75 -41.75 98.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.13 0.491 . . . . 0.0 110.316 177.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.75 -30.54 70.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.863 176.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.549 ' HA ' ' HA ' ' A' ' 105' ' ' GLU . . . -72.67 -21.56 61.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.275 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -82.04 -23.75 35.72 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.38 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 28.5 pt -101.77 -40.04 7.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -177.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -121.91 -25.42 5.0 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.805 -177.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.549 ' HA ' ' HA ' ' A' ' 101' ' ' ALA . 40.3 mt-10 65.76 89.65 0.1 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.34 0.591 . . . . 0.0 110.257 -173.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.5 tttp . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.356 -0.83 . . . . 0.0 110.024 -176.671 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.477 0.915 0 CA-C-O 120.914 0.388 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -85.24 94.5 8.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.086 0.469 . . . . 0.0 109.766 -179.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 1.017 ' HD2' ' HG3' ' A' ' 59' ' ' GLU . 21.4 tpp180 -69.82 128.51 36.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.468 -173.609 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.717 ' HD2' ' HB2' ' A' ' 35' ' ' LEU . 14.0 mmmm -86.12 125.45 33.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.99 0.424 . . . . 0.0 110.545 173.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 68.3 mt -125.48 131.88 71.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.707 176.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.713 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -102.62 126.92 56.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 173.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -131.15 112.17 12.61 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -176.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.418 ' HB ' ' CD1' ' A' ' 63' ' ' PHE . 60.3 t -96.48 120.07 45.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.152 0.501 . . . . 0.0 110.026 179.184 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.655 HG22 ' HB3' ' A' ' 64' ' ' ALA . 23.5 p -106.89 134.55 49.88 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.009 178.48 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.555 ' HA ' ' O ' ' A' ' 41' ' ' GLN . . . -152.65 154.46 35.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.721 0.296 . . . . 0.0 111.148 -178.394 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 1.07 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 40.1 t -163.69 142.93 8.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.775 175.167 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.29 -33.96 17.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.741 0.305 . . . . 0.0 111.096 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.8 p -105.47 -72.5 0.71 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -177.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.56 68.87 3.34 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.251 -0.499 . . . . 0.0 112.888 -175.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -64.32 -19.43 24.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.77 0.319 . . . . 0.0 111.705 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.02 -32.78 70.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.119 0.485 . . . . 0.0 110.607 175.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -72.82 -31.3 64.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.36 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.425 HG23 ' HB ' ' A' ' 9' ' ' THR . 22.7 m -61.65 -49.02 78.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.943 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -70.08 -33.35 71.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.344 -177.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.7 tpt -69.53 -44.91 70.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 0.0 110.629 177.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.407 ' HB1' ' HB2' ' A' ' 88' ' ' PRO . . . -60.2 -38.09 82.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.59 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.621 ' HA ' HG11 ' A' ' 38' ' ' VAL . . . -58.1 -47.3 83.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.091 178.009 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -67.36 -40.29 85.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.57 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.81 -46.31 65.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.397 -178.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.562 HD21 ' HB3' ' A' ' 88' ' ' PRO . 77.1 mt -60.55 -46.16 91.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.041 0.448 . . . . 0.0 110.868 177.277 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.61 ' HA ' HG21 ' A' ' 36' ' ' ILE . 85.6 tttt -61.84 -44.22 97.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.512 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.52 ' HB2' ' NZ ' ' A' ' 27' ' ' LYS . 2.6 ttmp? -61.48 -47.73 84.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.116 -177.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.85 -50.31 68.98 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.327 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.75 -44.67 96.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.525 0.202 . . . . 0.0 111.177 179.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -62.5 -35.56 79.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.049 178.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 31' ' ' LYS . 36.9 ttpt -67.95 -37.1 81.17 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.584 179.058 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.2 mmt -84.75 3.27 38.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.384 -178.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.58 14.06 68.91 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 120.838 -0.696 . . . . 0.0 113.089 175.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -97.78 170.43 8.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.021 0.439 . . . . 0.0 110.538 -178.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.717 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 87.3 mt -122.42 99.49 6.44 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.142 -179.009 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.61 HG21 ' HA ' ' A' ' 26' ' ' LYS . 15.0 tt -105.2 140.18 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.966 -177.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.468 ' HB3' HD22 ' A' ' 50' ' ' LEU . 5.8 tmtt? -115.88 105.49 12.73 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 175.551 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.621 HG11 ' HA ' ' A' ' 22' ' ' ALA . 34.7 t -92.28 120.23 41.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.103 -175.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.607 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 34.3 tt0 -95.12 139.08 31.96 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.197 178.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 25.0 m -117.61 112.83 21.07 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 120.891 0.377 . . . . 0.0 110.99 -176.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.555 ' O ' ' HA ' ' A' ' 10' ' ' ALA . 46.7 tt0 -115.11 134.72 54.91 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 177.326 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -107.83 -86.21 1.81 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.187 -1.006 . . . . 0.0 111.457 177.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -139.62 107.08 5.55 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.6 p 52.87 25.48 3.94 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.421 0.689 . . . . 0.0 111.7 -175.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.85 128.94 3.24 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.642 -0.583 . . . . 0.0 111.642 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.0 mt -118.0 122.8 70.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -178.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -88.36 -69.58 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.441 -175.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.561 ' HB2' ' HA ' ' A' ' 39' ' ' GLU . 75.4 m-20 -84.6 64.99 8.79 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.591 0.234 . . . . 0.0 110.813 -177.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -57.01 114.36 2.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.269 -178.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.607 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 81.8 mt -72.04 141.05 49.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.199 -178.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.463 ' O ' HG23 ' A' ' 55' ' ' VAL . 44.3 p -79.06 160.72 26.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.553 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -60.51 -38.55 84.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.313 0.578 . . . . 0.0 109.983 177.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.541 ' O ' HG12 ' A' ' 57' ' ' ILE . 47.0 mtmt -62.68 -49.09 76.49 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.905 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -59.56 -38.83 82.13 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.571 HG11 ' HG3' ' A' ' 74' ' ' ARG . 77.8 t -64.59 -42.76 96.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.331 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -73.56 -34.04 64.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.607 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.541 HG12 ' O ' ' A' ' 53' ' ' LYS . 46.4 mm -77.72 -35.97 21.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.033 0.444 . . . . 0.0 110.434 179.134 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.471 ' HA2' ' O ' ' A' ' 4' ' ' LYS . . . -64.57 131.69 37.83 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.17 176.102 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 1.017 ' HG3' ' HD2' ' A' ' 3' ' ' ARG . 6.1 mm-40 -78.04 -66.4 0.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.257 0.551 . . . . 0.0 109.985 -177.22 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.405 HG21 ' HB1' ' A' ' 99' ' ' ALA . 28.3 m -101.65 150.27 6.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.263 -176.294 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 20.4 t -110.24 114.75 47.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.057 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.9 mt -91.88 114.83 29.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.418 ' CD1' ' HB ' ' A' ' 8' ' ' VAL . 4.0 m-85 -103.85 95.41 6.0 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.788 0.328 . . . . 0.0 110.755 177.035 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.655 ' HB3' HG22 ' A' ' 9' ' ' THR . . . -97.28 89.81 4.88 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 171.308 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.444 ' HB ' ' H ' ' A' ' 66' ' ' ASP . 19.2 m -131.82 -169.11 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.456 0.646 . . . . 0.0 112.605 -167.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 1.07 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 23.4 t70 -157.71 -34.89 0.07 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.261 -1.336 . . . . 0.0 108.556 -174.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.6 t -117.12 -175.96 2.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.931 -1.031 . . . . 0.0 108.623 171.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -80.4 158.59 25.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.975 0.417 . . . . 0.0 110.735 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.8 m -113.7 156.71 14.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.085 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.569 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 47.2 ttt180 -92.55 -39.58 11.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.105 0.479 . . . . 0.0 110.506 179.226 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.482 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 13.0 m-20 -68.81 -6.07 24.66 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.621 -172.534 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.487 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 21.2 pttp -49.77 -23.37 1.79 Allowed 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.104 0.253 . . . . 0.0 111.543 174.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.569 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 28.7 mt-10 -43.0 -50.32 5.91 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.285 0.634 . . . . 0.0 111.546 176.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.571 ' HG3' HG11 ' A' ' 55' ' ' VAL . 6.6 ptp180 -84.37 -25.15 29.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.544 -172.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.639 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 24.3 m-85 -81.13 -6.97 59.44 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.125 178.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -64.09 121.13 13.44 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 177.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.7 -12.03 64.52 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.501 -178.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.639 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 25.3 mtpp -93.32 172.62 8.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.67 0.271 . . . . 0.0 110.396 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.0 t -85.77 118.42 32.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -178.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.9 t -118.32 141.82 35.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.795 0.331 . . . . 0.0 111.679 -172.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -125.34 115.93 21.1 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 174.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.409 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 50.5 mt-10 -109.45 125.7 52.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.852 0.358 . . . . 0.0 111.898 -173.58 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.4 m -139.03 158.56 69.41 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.091 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.417 ' O ' ' HD3' ' A' ' 88' ' ' PRO . 34.9 Cg_exo -61.62 141.03 89.81 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.578 2.186 . . . . 0.0 111.149 174.047 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.453 ' O ' ' HD2' ' A' ' 88' ' ' PRO . 14.5 p -59.83 -27.97 39.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -176.095 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.7 m -74.15 -19.69 60.48 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.616 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -68.38 -54.85 13.5 Favored Pre-proline 0 CA--C 1.539 0.536 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -175.363 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.616 ' HD3' ' HB3' ' A' ' 87' ' ' ALA . 44.2 Cg_exo -58.68 -14.85 23.32 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 122.901 2.401 . . . . 0.0 114.052 -174.439 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 47.9 mt -60.08 -51.08 77.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.109 0.481 . . . . 0.0 110.171 176.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -96.92 -36.29 10.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.145 177.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.626 ' HB3' ' HB3' ' A' ' 94' ' ' LYS . 3.3 m-20 -98.21 33.41 2.19 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.816 -173.671 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.78 -51.23 64.11 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.67 0.271 . . . . 0.0 111.245 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -64.46 -33.07 75.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.188 -179.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.626 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 29.3 tptp -68.81 -40.93 79.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.804 -178.506 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 91' ' ' ASP . 74.4 t -70.16 -44.77 77.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.04 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.04 -44.65 99.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.741 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -67.23 -38.79 85.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.203 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.38 99.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.831 0.348 . . . . 0.0 110.837 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.405 ' HB1' HG21 ' A' ' 60' ' ' VAL . . . -62.24 -38.92 91.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.945 179.057 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 98.9 mt -74.71 -31.34 61.83 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.107 178.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.744 ' HA ' ' HA ' ' A' ' 105' ' ' GLU . . . -66.99 -37.98 85.19 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -175.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.494 HD12 HG23 ' A' ' 103' ' ' ILE . 2.3 pp -73.49 -5.86 42.76 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -176.158 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.494 HG23 HD12 ' A' ' 102' ' ' LEU . 23.1 pt -112.93 -33.38 2.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 120.963 0.411 . . . . 0.0 110.462 172.293 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -153.35 -79.26 0.1 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.137 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.744 ' HA ' ' HA ' ' A' ' 101' ' ' ALA . 37.6 tt0 176.35 -44.95 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.309 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? . . . . . 0 C--O 1.249 1.067 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.115 175.565 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 36.8 mtmm . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.577 0.227 . . . . 0.0 110.702 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.43 ' HE ' ' CD ' ' A' ' 59' ' ' GLU . 3.5 tpt180 -74.48 141.36 44.94 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.509 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 27.6 mmtp -90.75 114.1 26.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.483 -176.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.567 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 70.5 mt -134.77 139.88 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.55 0.214 . . . . 0.0 110.806 -177.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.903 HG22 ' HB2' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -118.28 146.06 23.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 171.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -144.23 132.26 21.61 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 121.251 -0.179 . . . . 0.0 110.7 -176.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.404 HG11 ' CG1' ' A' ' 69' ' ' VAL . 46.8 t -105.75 131.17 55.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.001 0.429 . . . . 0.0 110.859 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.6 p -119.38 126.39 51.28 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.639 176.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.468 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -152.87 127.98 9.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.058 0.456 . . . . 0.0 111.622 -176.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.6 t -149.26 147.44 28.38 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.521 ' HA ' ' HB2' ' A' ' 43' ' ' ALA . . . -92.14 -75.14 0.49 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.019 0.438 . . . . 0.0 110.81 -177.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 p -95.56 94.52 7.81 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.298 0.571 . . . . 0.0 110.528 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 129.57 48.08 0.15 Allowed Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -175.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.7 m -66.98 -14.26 17.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 N-CA-C 111.722 0.268 . . . . 0.0 111.722 -176.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.46 -33.0 67.52 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 175.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -63.78 -53.03 57.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.163 174.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.499 HG22 HG23 ' A' ' 40' ' ' THR . 5.6 m -53.28 -53.87 44.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.687 -176.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.588 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 82.1 m-85 -67.56 -46.61 72.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.507 -176.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.6 tpp -61.67 -41.95 98.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.754 0.312 . . . . 0.0 110.786 -178.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.06 -47.56 82.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.575 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.47 -31.59 71.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.285 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 19' ' ' TYR . 27.3 mm-40 -76.5 -52.99 8.73 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 121.103 -0.239 . . . . 0.0 110.67 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.69 -43.44 98.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.952 0.406 . . . . 0.0 111.103 -177.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.3 tp -60.8 -42.31 97.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.679 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -64.89 -45.67 84.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.303 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -59.39 -48.12 82.84 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.057 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.26 -45.16 96.56 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.631 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.95 -39.42 94.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.934 0.397 . . . . 0.0 111.067 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -68.91 -38.81 79.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.527 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -64.21 -37.74 88.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.625 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 87.4 mmm -74.5 -21.2 59.68 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.646 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.91 51.91 2.91 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.764 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.57 ' HA ' ' HA ' ' A' ' 2' ' ' LYS . 42.8 m-80 -126.65 -177.85 4.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.702 0.287 . . . . 0.0 110.612 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.488 ' HG ' ' HB3' ' A' ' 2' ' ' LYS . 83.8 mt -120.51 110.2 16.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.793 177.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.567 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 15.6 tt -120.98 143.56 32.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.087 0.47 . . . . 0.0 111.161 -175.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.903 ' HB2' HG22 ' A' ' 6' ' ' ILE . 68.2 mmtt -115.49 102.73 10.07 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.285 175.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.5 t -96.81 116.65 39.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.005 0.431 . . . . 0.0 110.599 -177.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 28.8 tt0 -94.44 132.66 38.85 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.521 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.499 HG23 HG22 ' A' ' 18' ' ' THR . 56.5 m -118.69 113.38 21.09 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.775 0.321 . . . . 0.0 110.817 -176.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.87 ' HG2' HG12 ' A' ' 46' ' ' ILE . 20.0 mt-30 -103.69 115.69 30.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.72 175.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.02 63.85 3.79 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.254 -1.139 . . . . 0.0 110.254 171.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.521 ' HB2' ' HA ' ' A' ' 12' ' ' ALA . . . 75.5 -73.26 0.09 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 124.099 0.96 . . . . 0.0 110.581 -175.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.8 m -112.86 -33.63 6.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.035 0.445 . . . . 0.0 110.644 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.8 111.42 3.24 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.735 -177.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.87 HG12 ' HG2' ' A' ' 41' ' ' GLN . 40.1 mt -85.38 120.92 36.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -96.31 -16.93 21.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.769 0.319 . . . . 0.0 111.674 -174.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.46 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 65.5 t30 -140.68 82.46 1.85 Allowed 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.783 ' HG3' HD21 ' A' ' 71' ' ' ASN . 36.8 tt0 -76.2 111.65 11.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.227 -174.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 70.0 mt -82.01 117.16 22.01 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.063 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.2 p -82.09 176.64 9.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.737 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -53.73 -40.19 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.485 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.568 ' O ' HG13 ' A' ' 57' ' ' ILE . 25.1 ttpp -53.09 -55.95 19.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.299 176.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -66.09 -39.16 89.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.335 0.588 . . . . 0.0 110.544 -174.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.802 HG21 ' HG3' ' A' ' 74' ' ' ARG . 38.9 t -67.72 -32.23 55.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.598 -178.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -79.89 -21.35 44.11 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.824 177.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.568 HG13 ' O ' ' A' ' 53' ' ' LYS . 87.7 mt -68.8 -56.89 10.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 174.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.475 ' HA3' HG23 ' A' ' 6' ' ' ILE . . . -72.88 135.49 21.66 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.905 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 9.0 pt-20 -90.14 -45.15 9.31 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.371 -0.488 . . . . 0.0 110.961 -178.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.631 HG11 ' HB1' ' A' ' 99' ' ' ALA . 39.2 t -93.87 135.61 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.682 HG22 HD11 ' A' ' 6' ' ' ILE . 23.6 t -110.06 109.44 28.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.37 177.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.1 mt -91.22 128.46 42.98 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -112.92 107.77 16.46 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.744 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.676 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -118.3 90.69 3.39 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 173.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 10' ' ' ALA . 27.3 m -140.95 152.49 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.941 -170.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -105.21 -19.78 13.71 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.583 169.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.8 t -125.84 -172.96 2.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.257 -176.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -78.19 161.33 27.4 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.24 0.543 . . . . 0.0 111.703 -175.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.709 ' HB ' ' HB3' ' A' ' 72' ' ' LYS . 48.2 t -114.83 144.1 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.188 177.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.621 ' HB2' HD11 ' A' ' 46' ' ' ILE . 52.4 mtp180 -92.62 -40.87 10.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.899 0.38 . . . . 0.0 110.998 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.783 HD21 ' HG3' ' A' ' 49' ' ' GLU . 94.9 m-20 -79.32 -5.9 55.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.318 -178.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.709 ' HB3' ' HB ' ' A' ' 69' ' ' VAL . 22.1 pttp -48.42 -24.97 1.42 Allowed 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.488 0.492 . . . . 0.0 112.081 -177.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -51.67 -42.59 62.25 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.251 0.345 . . . . 0.0 111.706 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.802 ' HG3' HG21 ' A' ' 55' ' ' VAL . 12.2 ptp180 -80.98 -27.54 35.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.732 0.301 . . . . 0.0 111.596 -177.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.593 ' HB3' HG11 ' A' ' 61' ' ' VAL . 90.8 m-85 -77.67 -29.23 51.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.877 178.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -66.32 128.44 36.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.637 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.07 -10.88 48.22 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -176.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.429 ' HE2' ' O ' ' A' ' 55' ' ' VAL . 18.5 mtpp -100.56 174.19 6.2 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 176.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.402 HG13 ' HA ' ' A' ' 60' ' ' VAL . 6.9 p -84.53 121.28 36.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -177.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.663 HG12 ' HB ' ' A' ' 61' ' ' VAL . 3.2 m -121.92 160.23 23.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.584 0.706 . . . . 0.0 112.268 -170.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -129.46 103.22 6.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.522 175.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -93.86 121.85 35.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.396 -174.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.6 m -141.06 164.04 38.38 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.402 178.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -62.94 148.98 92.87 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.303 2.002 . . . . 0.0 111.214 173.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.676 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 12.7 p -64.31 -24.06 34.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.213 0.53 . . . . 0.0 111.075 -177.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.6 p -74.67 -20.13 60.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.938 178.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.57 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -63.67 -53.61 49.38 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -174.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.57 ' HD3' ' HB3' ' A' ' 87' ' ' ALA . 23.4 Cg_exo -65.55 -3.58 8.06 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 122.428 2.086 . . . . 0.0 113.208 -177.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 81.4 mt -83.25 -45.0 18.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.091 0.472 . . . . 0.0 110.257 176.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -96.53 -29.52 13.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.598 -176.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.492 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.8 OUTLIER -130.95 42.99 3.17 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -173.659 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' A' ' 88' ' ' PRO . . . -52.37 -51.39 59.21 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -177.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.443 ' H ' ' CD ' ' A' ' 93' ' ' GLU . 1.5 mp0 -60.12 -33.15 71.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.142 0.496 . . . . 0.0 110.514 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.483 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 1.1 tppp? -71.6 -39.37 70.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.838 -178.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 91' ' ' ASP . 59.6 t -63.68 -38.83 83.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.46 177.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 92' ' ' ALA . 76.9 mt -63.11 -42.12 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.297 176.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -63.71 -36.73 84.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.712 176.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.69 -40.22 96.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.631 ' HB1' HG11 ' A' ' 60' ' ' VAL . . . -60.29 -42.17 94.92 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.319 0.581 . . . . 0.0 110.163 176.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.97 -29.09 69.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.754 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.11 -19.15 62.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.753 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.02 -21.34 31.67 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.642 0.258 . . . . 0.0 111.336 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.0 pt -113.9 -24.98 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -177.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.1 t70 . . . . . 0 C--N 1.325 -0.462 0 CA-C-O 120.768 0.318 . . . . 0.0 110.42 -174.749 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.65 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 46.2 pttt . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 121.362 0.601 . . . . 0.0 111.393 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 0.6 OUTLIER -84.47 133.7 34.47 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 176.159 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.561 ' HG3' ' HG3' ' A' ' 59' ' ' GLU . 4.6 ptpt -92.56 116.6 29.14 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.35 0.595 . . . . 0.0 110.983 -177.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.503 HG23 HG23 ' A' ' 60' ' ' VAL . 50.1 mt -129.38 140.43 49.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.478 -174.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.793 HD11 HG22 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -114.52 137.15 48.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 173.198 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.46 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -138.0 132.31 32.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.832 0.348 . . . . 0.0 111.006 -175.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -108.84 116.2 51.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.474 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.1 p -100.97 114.13 27.75 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.201 174.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.66 ' HA ' ' O ' ' A' ' 41' ' ' GLN . . . -136.37 109.14 7.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.171 0.51 . . . . 0.0 111.128 -177.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.425 ' HB2' HG21 ' A' ' 85' ' ' VAL . 45.5 t -119.4 128.44 54.05 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.585 -178.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.08 -10.65 17.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.356 177.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.3 m -84.74 -51.53 6.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.467 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.4 108.53 0.7 Allowed Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.564 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.4 t -56.33 -32.14 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.877 0.37 . . . . 0.0 111.278 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.03 -35.48 71.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.969 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.7 m170 -66.27 -33.13 75.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.155 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.416 HG22 HG22 ' A' ' 40' ' ' THR . 25.6 m -58.32 -51.64 68.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.125 0.488 . . . . 0.0 110.8 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -75.95 -33.64 59.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.848 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.443 ' SD ' HD13 ' A' ' 89' ' ' ILE . 48.7 ttm -62.64 -48.84 77.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.852 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.478 ' HA ' HG12 ' A' ' 89' ' ' ILE . . . -65.37 -47.82 75.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.943 -177.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.01 -42.7 85.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.513 -178.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -70.49 -47.43 60.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.279 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.55 -43.3 90.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.042 0.448 . . . . 0.0 110.951 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.596 ' HB2' ' HB2' ' A' ' 88' ' ' PRO . 57.9 tp -60.67 -48.95 79.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.983 177.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -67.91 -30.31 69.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -62.45 -48.09 81.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.017 177.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.66 -40.8 96.07 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.744 177.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.502 ' HB1' HD21 ' A' ' 34' ' ' ASN . . . -62.22 -48.26 80.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.999 0.428 . . . . 0.0 111.166 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -64.66 -32.07 73.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.253 0.549 . . . . 0.0 110.151 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -67.57 -30.29 69.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.545 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 21.8 mmt -80.99 -28.36 35.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.74 -179.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.88 18.73 17.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.546 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.65 ' HA ' ' HA ' ' A' ' 2' ' ' LYS . 1.7 p-10 -104.42 168.22 9.24 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.031 0.443 . . . . 0.0 110.998 178.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.7 mt -100.5 130.42 46.58 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.674 -178.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.497 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 17.4 tt -137.34 139.34 43.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.231 0.539 . . . . 0.0 111.344 -176.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.07 102.25 9.46 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.253 177.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 3.6 m -93.99 130.2 43.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.079 0.466 . . . . 0.0 111.55 -179.144 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.642 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 36.8 tt0 -103.94 137.95 41.2 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.832 176.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.478 ' OG1' ' HB3' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -106.45 111.53 24.14 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.493 179.812 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.66 ' O ' ' HA ' ' A' ' 10' ' ' ALA . 7.8 tt0 -131.92 163.14 29.0 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.61 -72.57 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.24 -0.981 . . . . 0.0 112.138 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.86 122.1 4.64 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.1 p 52.75 26.89 4.81 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.484 0.713 . . . . 0.0 111.951 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.58 118.2 0.81 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.884 -175.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 50.2 mt -110.96 127.7 67.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 175.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.478 ' HB3' ' OG1' ' A' ' 40' ' ' THR . 40.1 tt0 -90.94 -63.48 1.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.06 -175.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.49 ' HB3' ' HA ' ' A' ' 39' ' ' GLU . 19.3 t-20 -69.95 -47.15 63.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.304 -175.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 63.38 87.97 0.1 Allowed 'General case' 0 C--O 1.236 0.345 0 O-C-N 123.726 0.641 . . . . 0.0 110.442 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.642 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 84.6 mt -66.01 110.99 3.13 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.537 0.684 . . . . 0.0 111.21 -177.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.479 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -74.42 156.6 36.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.431 -178.495 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -53.34 -39.27 63.97 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.904 -175.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.534 ' O ' HG13 ' A' ' 57' ' ' ILE . 24.5 mtpp -53.78 -56.92 13.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.919 177.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.25 -33.84 75.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -177.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 51' ' ' THR . 89.1 t -63.43 -39.47 85.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.175 178.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -83.23 -18.66 38.47 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.73 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.534 HG13 ' O ' ' A' ' 53' ' ' LYS . 77.2 mt -72.78 -63.12 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 173.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.52 ' HA3' HG23 ' A' ' 6' ' ' ILE . . . -55.91 126.67 40.85 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.338 177.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.561 ' HG3' ' HG3' ' A' ' 4' ' ' LYS . 35.0 mt-10 -84.99 -59.68 2.27 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -177.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.503 HG23 HG23 ' A' ' 5' ' ' ILE . 15.9 m -95.39 145.98 7.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.287 176.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.793 HG22 HD11 ' A' ' 6' ' ' ILE . 12.4 t -112.23 140.51 31.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.913 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.44 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 68.9 mt -119.45 131.14 72.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 176.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -116.56 110.89 19.16 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.755 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.502 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -114.53 91.22 3.55 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 174.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.515 HG12 ' HB3' ' A' ' 10' ' ' ALA . 29.7 m -142.79 156.21 17.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.094 -169.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -101.59 -35.46 9.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.055 168.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.4 t -107.33 -171.8 1.95 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.946 -1.025 . . . . 0.0 110.151 -175.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -78.23 157.63 29.24 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.745 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.504 ' HB ' ' HB3' ' A' ' 72' ' ' LYS . 61.1 t -115.22 133.9 60.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.907 174.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -67.32 -55.71 12.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.306 0.574 . . . . 0.0 110.717 175.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.582 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 87.2 m-20 -71.62 -6.2 39.15 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.766 -170.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.504 ' HB3' ' HB ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -55.6 -23.5 27.71 Favored 'General case' 0 C--O 1.221 -0.428 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 177.407 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -47.42 -44.76 24.95 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.379 0.672 . . . . 0.0 112.445 177.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.582 ' HG2' ' O ' ' A' ' 71' ' ' ASN . 7.7 ptp180 -81.24 -26.87 35.51 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.975 0.417 . . . . 0.0 111.232 -176.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.567 ' CE1' HG13 ' A' ' 6' ' ' ILE . 38.5 m-85 -84.32 -13.12 53.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.452 178.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -63.83 -32.31 73.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.168 -176.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -90.34 9.93 75.92 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.949 176.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -116.66 -174.49 2.58 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.421 HG13 ' HA ' ' A' ' 60' ' ' VAL . 4.6 p -97.34 118.68 44.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.948 0.404 . . . . 0.0 110.454 -178.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.637 HG12 ' HB ' ' A' ' 61' ' ' VAL . 2.8 m -121.56 157.42 25.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.298 0.57 . . . . 0.0 111.829 -174.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.458 ' HB2' HD11 ' A' ' 102' ' ' LEU . 2.5 tm? -126.5 111.63 14.63 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 173.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -95.61 131.75 41.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.961 -174.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.5 m -142.27 163.67 38.14 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.166 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -64.43 153.75 75.29 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.214 1.943 . . . . 0.0 110.952 171.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.502 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 9.4 p -65.07 -25.85 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.024 0.44 . . . . 0.0 111.076 -177.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.47 ' HA ' HD12 ' A' ' 89' ' ' ILE . 30.4 t -74.49 -21.3 59.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.012 0.434 . . . . 0.0 111.179 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.0 -55.36 38.27 Favored Pre-proline 0 CA--C 1.537 0.46 0 N-CA-C 112.737 0.644 . . . . 0.0 112.737 -173.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.596 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 57.8 Cg_endo -69.27 -7.2 20.26 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 121.962 1.775 . . . . 0.0 112.994 -176.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.478 HG12 ' HA ' ' A' ' 21' ' ' ALA . 68.7 mt -77.92 -43.24 28.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.276 0.56 . . . . 0.0 109.737 176.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -97.05 -43.41 7.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.43 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.486 ' HB3' ' HB3' ' A' ' 94' ' ' LYS . 41.3 m-20 -115.36 40.92 2.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.538 -169.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.596 ' O ' HG12 ' A' ' 95' ' ' VAL . . . -56.87 -38.87 73.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.855 0.359 . . . . 0.0 110.959 178.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -59.09 -40.88 86.64 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.286 0.565 . . . . 0.0 110.433 176.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.686 ' HA ' ' HE3' ' A' ' 94' ' ' LYS . 1.8 tpmt? -73.61 -41.72 62.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.52 -175.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.596 HG12 ' O ' ' A' ' 92' ' ' ALA . 5.3 p -65.59 -39.56 85.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.375 -178.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.25 -50.94 77.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.544 174.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -61.59 -36.12 79.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.197 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.56 -36.99 84.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.299 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.88 94.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.688 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.66 -30.66 71.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.105 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.0 -17.4 64.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.848 0.356 . . . . 0.0 111.382 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.458 HD11 ' HB2' ' A' ' 81' ' ' LEU . 94.0 mt -75.33 -26.92 59.02 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.509 -179.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 104' ' ' ASP . 19.6 pt -128.37 -49.05 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -175.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.42 ' N ' HG13 ' A' ' 103' ' ' ILE . 27.8 m-20 . . . . . 0 C--N 1.327 -0.388 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -172.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp . . . . . 0 N--CA 1.472 0.628 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.437 ' HD2' ' CG ' ' A' ' 59' ' ' GLU . 2.9 tpp180 -155.32 143.95 20.5 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.806 172.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.43 ' HD2' ' HB2' ' A' ' 35' ' ' LEU . 13.6 mmmm -79.86 122.0 26.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.092 0.472 . . . . 0.0 110.737 176.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 67.8 mt -127.2 133.89 67.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.29 176.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.602 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.1 OUTLIER -111.8 132.5 60.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 120.907 0.384 . . . . 0.0 110.147 177.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.472 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -135.98 129.59 32.33 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.863 -176.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.614 HG11 HG21 ' A' ' 69' ' ' VAL . 61.9 t -108.8 131.04 60.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.112 0.482 . . . . 0.0 110.618 178.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.485 ' O ' ' HA ' ' A' ' 40' ' ' THR . 17.0 p -115.6 115.94 27.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.373 175.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.517 ' HA ' ' O ' ' A' ' 41' ' ' GLN . . . -139.61 106.59 5.43 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.833 0.349 . . . . 0.0 111.27 -175.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.612 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 52.2 t -148.26 126.03 11.88 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.941 179.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.674 ' HB3' HG21 ' A' ' 67' ' ' THR . . . -108.91 -19.37 13.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.033 -178.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.4 p -76.83 -42.0 42.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.243 0.544 . . . . 0.0 110.468 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -126.38 79.62 0.37 Allowed Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.403 177.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 m -60.25 -28.68 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -174.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.8 -27.79 67.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.099 0.476 . . . . 0.0 110.819 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -74.52 -38.99 62.65 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.612 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 1.5 m -59.96 -58.61 7.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.463 -178.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -66.08 -27.59 68.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.587 -175.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.8 tpp -67.21 -58.64 4.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.242 176.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.11 -39.78 83.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.137 -177.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.514 ' O ' ' HG3' ' A' ' 26' ' ' LYS . . . -53.94 -57.23 11.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.15 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.488 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 76.6 mt-30 -71.96 -33.7 68.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.166 -177.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.77 -43.41 94.36 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.887 0.375 . . . . 0.0 110.482 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.557 HD21 ' HB3' ' A' ' 88' ' ' PRO . 84.0 mt -61.25 -44.03 97.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.099 175.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 54.8 mtpt -63.24 -36.46 83.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 23' ' ' GLN . 89.6 mttt -70.58 -52.58 20.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.156 0.503 . . . . 0.0 110.618 177.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.91 -20.46 48.7 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.972 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.467 ' HA ' HD21 ' A' ' 34' ' ' ASN . . . -54.8 -49.07 71.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.629 0.252 . . . . 0.0 111.244 177.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -69.45 -28.01 65.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.096 0.474 . . . . 0.0 110.765 -177.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.519 ' HD3' ' HG2' ' A' ' 93' ' ' GLU . 86.3 tttt -70.94 -30.23 66.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.219 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.418 ' HA ' ' CE ' ' A' ' 32' ' ' MET . 10.1 mmt -92.62 -14.43 28.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.224 176.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.23 21.16 65.57 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.989 176.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.51 ' C ' HD22 ' A' ' 34' ' ' ASN . 0.3 OUTLIER -115.08 173.08 6.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.652 0.263 . . . . 0.0 111.222 -178.712 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.43 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 62.0 mt -111.21 107.57 16.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.035 -176.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 14.6 tt -106.93 143.31 17.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.193 0.52 . . . . 0.0 110.62 -176.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.448 ' HB2' HG22 ' A' ' 6' ' ' ILE . 13.9 mmmm -116.14 104.34 11.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.064 175.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.472 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 61.3 t -96.56 126.33 49.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.393 0.616 . . . . 0.0 111.505 -175.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.86 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 29.4 tt0 -102.18 147.75 26.26 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.941 175.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' A' ' 9' ' ' THR . 87.3 m -133.72 120.6 20.78 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 120.655 0.264 . . . . 0.0 110.907 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.631 ' HG2' HG12 ' A' ' 46' ' ' ILE . 10.9 mt-30 -121.26 148.18 44.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.165 175.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -94.85 -69.3 1.06 Allowed Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 169.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -143.37 -49.06 0.31 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.086 0.469 . . . . 0.0 109.812 173.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.4 m -119.15 -28.85 5.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.243 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -87.0 129.86 9.7 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.688 -175.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.631 HG12 ' HG2' ' A' ' 41' ' ' GLN . 47.8 mt -109.44 129.75 63.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.448 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 33.1 tt0 -85.99 -32.87 21.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.757 0.313 . . . . 0.0 111.047 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -147.28 94.14 2.35 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 -177.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -68.56 127.66 33.83 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.17 0.509 . . . . 0.0 111.397 -177.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.86 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 78.2 mt -87.6 136.6 32.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.325 175.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.644 ' O ' HG23 ' A' ' 55' ' ' VAL . 77.5 p -90.62 158.58 16.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.724 -178.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -59.38 -35.01 73.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.725 0.298 . . . . 0.0 110.598 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -68.06 -34.74 77.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.92 178.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.17 -43.74 94.21 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.196 0.522 . . . . 0.0 109.984 174.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 51' ' ' THR . 21.2 t -71.52 -31.12 41.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.14 -176.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -74.55 -48.56 26.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.841 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.8 mm -69.81 -29.47 40.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.855 0.36 . . . . 0.0 110.339 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 4' ' ' LYS . . . -64.6 140.58 42.88 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.87 172.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.437 ' CG ' ' HD2' ' A' ' 3' ' ' ARG . 61.1 mm-40 -87.0 -46.45 9.82 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.095 0.474 . . . . 0.0 110.488 -178.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.2 m -125.85 148.43 30.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.013 -176.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.631 ' HB ' HG12 ' A' ' 80' ' ' VAL . 40.9 t -112.14 141.54 27.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.376 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.908 HD11 ' HB2' ' A' ' 99' ' ' ALA . 24.5 mm -113.22 131.65 64.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 120.776 0.322 . . . . 0.0 110.132 174.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -119.06 104.18 10.23 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.209 176.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.671 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -107.63 90.84 3.42 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 172.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 32.6 m -136.3 157.29 37.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.664 0.745 . . . . 0.0 112.715 -170.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.01 -27.76 2.72 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.197 -1.365 . . . . 0.0 108.552 170.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.674 HG21 ' HB3' ' A' ' 12' ' ' ALA . 10.2 p -113.72 -166.0 1.05 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.045 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -87.8 136.23 33.05 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.083 -172.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.614 HG21 HG11 ' A' ' 8' ' ' VAL . 0.8 OUTLIER -115.82 129.15 72.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.313 174.224 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 71' ' ' ASN . 0.0 OUTLIER -85.46 -24.62 27.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.266 0.555 . . . . 0.0 110.717 -170.246 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.43 ' HA ' HH21 ' A' ' 74' ' ' ARG . 83.1 m-20 -82.71 -5.83 59.08 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.233 -179.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.588 ' HB2' HG13 ' A' ' 69' ' ' VAL . 41.1 ttmt -49.42 -28.78 5.55 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.677 0.611 . . . . 0.0 111.081 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.461 ' HB2' ' NH2' ' A' ' 74' ' ' ARG . 38.9 mt-10 -52.96 -37.81 61.46 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.733 177.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.461 ' NH2' ' HB2' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -62.71 -46.32 88.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.333 0.587 . . . . 0.0 110.482 179.748 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.551 ' HD2' ' HA ' ' A' ' 72' ' ' LYS . 4.3 m-85 -83.48 -0.46 50.24 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.738 -174.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -60.56 -47.07 87.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 -178.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -88.68 4.32 85.04 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.562 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.9 -177.04 3.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.818 0.342 . . . . 0.0 110.919 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.9 t -100.03 117.93 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.084 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.631 HG12 ' HB ' ' A' ' 61' ' ' VAL . 1.9 m -124.46 152.02 30.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.234 0.54 . . . . 0.0 111.744 -174.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.528 ' HB3' HD13 ' A' ' 62' ' ' ILE . 2.4 tm? -119.96 106.13 11.73 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 172.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -98.21 132.34 43.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -174.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.6 m -142.87 167.02 17.27 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.3 -178.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -59.77 146.8 94.62 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.469 2.113 . . . . 0.0 111.302 172.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.671 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 14.4 p -62.26 -31.63 52.22 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 -173.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.4 m -75.36 -19.35 59.62 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.61 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -57.85 -54.22 57.65 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -175.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.61 ' HD3' ' HB3' ' A' ' 87' ' ' ALA . 12.7 Cg_exo -71.76 4.02 3.4 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.382 2.055 . . . . 0.0 113.522 -177.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 27.1 mt -67.97 -50.17 61.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 110.607 178.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -96.2 -37.57 10.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.139 0.495 . . . . 0.0 110.792 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.772 ' HB3' ' HB2' ' A' ' 94' ' ' LYS . 28.4 m-20 -104.87 41.86 1.28 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.893 -170.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.719 ' O ' HG12 ' A' ' 95' ' ' VAL . . . -59.43 -44.15 92.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.72 0.295 . . . . 0.0 111.558 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.519 ' HG2' ' HD3' ' A' ' 31' ' ' LYS . 2.2 mp0 -68.09 -30.59 69.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.274 0.559 . . . . 0.0 110.263 178.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.772 ' HB2' ' HB3' ' A' ' 91' ' ' ASP . 74.9 mmtt -74.05 -40.83 62.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.944 -177.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.719 HG12 ' O ' ' A' ' 92' ' ' ALA . 3.1 p -65.48 -37.49 80.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.144 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 73.8 mt -62.21 -46.49 96.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.314 174.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -61.41 -38.45 87.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 177.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.67 -39.68 92.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.661 177.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.908 ' HB2' HD11 ' A' ' 62' ' ' ILE . . . -67.79 -45.38 74.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.037 0.446 . . . . 0.0 110.814 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 98.4 mt -59.14 -27.7 65.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.63 177.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.97 -21.95 66.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.826 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.63 -18.16 57.05 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.551 0.204 . . . . 0.0 111.551 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 21.7 pt -115.58 -30.82 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -178.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 C--N 1.327 -0.41 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.524 -177.787 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.597 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 52.6 mttp . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -63.58 134.39 55.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.257 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.416 ' CB ' ' HA2' ' A' ' 58' ' ' GLY . 39.7 mmtm -81.89 110.05 16.82 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 178.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.563 HG23 HD13 ' A' ' 62' ' ' ILE . 67.5 mt -117.28 130.96 71.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.317 -176.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.562 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -115.84 125.84 73.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 168.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -132.55 139.17 47.75 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.815 -174.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.483 HG13 ' HB3' ' A' ' 39' ' ' GLU . 52.8 t -118.78 126.31 75.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.382 178.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.476 HG22 ' HB3' ' A' ' 64' ' ' ALA . 35.7 p -107.06 131.4 54.13 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 173.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.442 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -145.74 112.91 6.14 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.858 0.361 . . . . 0.0 111.188 -177.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.0 t -152.25 127.14 9.62 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.91 -21.66 13.95 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.724 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.2 p -94.64 110.06 21.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.414 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.35 71.03 1.09 Allowed Glycine 0 N--CA 1.443 -0.871 0 N-CA-C 110.172 -1.171 . . . . 0.0 110.172 -171.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.5 p -52.14 -23.64 4.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 123.312 0.645 . . . . 0.0 112.606 -175.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.8 -25.9 65.31 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.656 0.265 . . . . 0.0 111.14 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -58.54 -50.31 74.25 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.737 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.595 HG22 HG23 ' A' ' 40' ' ' THR . 3.4 m -62.1 -26.44 68.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.325 -176.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -90.41 -44.19 9.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.023 -178.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.4 tpt -63.73 -41.91 97.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.256 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.13 -45.25 89.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.46 98.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.473 -178.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.427 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 3.5 pt20 -76.6 -36.48 57.48 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.318 -177.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.69 -40.84 79.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.066 0.46 . . . . 0.0 110.132 177.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.536 ' HA ' ' HB1' ' A' ' 92' ' ' ALA . 60.9 tp -63.02 -39.64 95.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.332 175.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -62.07 -40.51 96.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.086 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 23' ' ' GLN . 34.0 mmtp -62.63 -48.99 76.95 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.529 175.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 31' ' ' LYS . . . -58.87 -37.04 90.08 Favored Glycine 0 CA--C 1.517 0.159 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.394 178.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.49 -45.85 82.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.593 0.235 . . . . 0.0 110.799 178.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -69.94 -27.29 64.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.408 178.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 24.4 tptm -61.82 -40.96 97.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.077 177.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.424 ' HB2' ' ND2' ' A' ' 34' ' ' ASN . 92.4 mmm -93.89 -9.84 35.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.302 -177.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.74 58.5 3.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.981 177.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.424 ' ND2' ' HB2' ' A' ' 32' ' ' MET . 36.5 m-80 -124.42 178.33 5.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.784 0.326 . . . . 0.0 110.507 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.597 ' HG ' ' HB3' ' A' ' 2' ' ' LYS . 95.2 mt -114.87 114.1 25.07 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 175.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.8 tt -118.68 140.74 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 CA-C-O 121.554 0.692 . . . . 0.0 111.751 -172.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.969 ' HG3' HD22 ' A' ' 50' ' ' LEU . 1.3 tpmt? -116.48 100.46 7.88 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.761 -1.109 . . . . 0.0 108.424 174.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 8.1 p -99.96 130.65 48.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.357 0.599 . . . . 0.0 111.834 -174.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.553 ' CD ' HG23 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -100.28 151.85 20.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.331 176.747 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.595 HG23 HG22 ' A' ' 18' ' ' THR . 22.2 m -128.19 97.82 4.89 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.776 0.322 . . . . 0.0 110.461 -177.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.63 HE22 ' HA ' ' A' ' 69' ' ' VAL . 18.6 mt-30 -94.59 107.87 19.85 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 174.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.95 -11.42 74.2 Favored Glycine 0 CA--C 1.516 0.145 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.517 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -169.24 -128.01 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 m -85.76 -5.03 59.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.439 0.637 . . . . 0.0 109.332 172.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.08 163.23 29.07 Favored Glycine 0 C--N 1.334 0.444 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.909 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.553 HG23 ' CD ' ' A' ' 39' ' ' GLU . 3.9 mp -117.14 139.21 45.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 122.011 0.124 . . . . 0.0 111.05 -173.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -104.03 -62.22 1.34 Allowed 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.414 ' HB3' ' HA ' ' A' ' 39' ' ' GLU . 26.9 t-20 -80.51 -43.34 20.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.517 -172.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 69.9 107.01 0.06 Allowed 'General case' 0 C--O 1.233 0.221 0 O-C-N 124.208 0.942 . . . . 0.0 110.934 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.969 HD22 ' HG3' ' A' ' 37' ' ' LYS . 16.6 mt -81.85 104.32 12.14 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 175.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.428 ' O ' HG23 ' A' ' 55' ' ' VAL . 46.7 p -59.45 150.86 25.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.969 -175.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -55.56 -37.38 67.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.712 -178.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -69.26 -43.83 73.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.343 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -65.15 -32.21 73.79 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.033 0.444 . . . . 0.0 110.831 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.526 ' HA ' HG21 ' A' ' 6' ' ' ILE . 76.5 t -71.02 -35.91 61.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.249 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -73.19 -31.26 64.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.757 0.313 . . . . 0.0 110.606 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.3 mm -71.07 -48.69 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 174.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.515 ' HA3' HG23 ' A' ' 6' ' ' ILE . . . -61.29 138.89 47.4 Favored Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 176.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -98.8 -59.07 1.81 Allowed 'General case' 0 C--N 1.317 -0.828 0 O-C-N 122.639 -0.33 . . . . 0.0 110.843 -175.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.6 m -95.37 139.38 18.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.543 HG22 HD11 ' A' ' 6' ' ' ILE . 18.4 t -109.86 117.97 55.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.388 -179.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.563 HD13 HG23 ' A' ' 5' ' ' ILE . 2.1 mp -101.55 122.52 53.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.074 0.464 . . . . 0.0 110.148 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -107.84 106.14 16.28 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 177.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.48 ' CB ' ' HG3' ' A' ' 88' ' ' PRO . . . -107.02 90.58 3.34 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 171.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.1 m -136.69 161.0 37.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 121.421 0.629 . . . . 0.0 112.022 -169.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -120.11 -32.7 4.11 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.0 171.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.0 t -106.61 -168.68 1.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.188 174.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -93.15 169.45 10.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.006 0.431 . . . . 0.0 111.048 -176.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.687 HG23 ' HB2' ' A' ' 72' ' ' LYS . 19.1 m -127.88 149.48 32.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.559 -172.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.535 ' HB3' HD11 ' A' ' 46' ' ' ILE . 76.0 ttt180 -94.44 -30.53 14.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.115 0.483 . . . . 0.0 110.494 175.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.556 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 51.5 m-80 -67.29 -13.46 62.01 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.715 -176.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.687 ' HB2' HG23 ' A' ' 69' ' ' VAL . 23.7 tptm -51.13 -31.73 20.49 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 122.914 0.486 . . . . 0.0 112.057 -176.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -52.79 -46.47 67.62 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -176.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 71' ' ' ASN . 11.8 ptp180 -75.63 -13.73 60.34 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -174.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.764 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 25.6 m-85 -91.84 0.82 57.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.598 0.237 . . . . 0.0 111.471 -178.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -63.88 134.27 54.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.761 0.315 . . . . 0.0 110.673 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.27 2.45 90.36 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.275 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.764 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 25.7 mtpp -108.24 179.89 4.08 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.46 HG11 HG23 ' A' ' 103' ' ' ILE . 40.8 t -87.7 124.79 41.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -177.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.4 t -120.36 137.89 52.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.314 0.578 . . . . 0.0 111.931 -172.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -127.87 109.49 11.66 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 174.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -106.29 125.34 50.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.718 -174.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.4 m -139.77 161.81 54.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.886 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -61.17 146.08 97.95 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.495 2.13 . . . . 0.0 111.323 174.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.7 p -64.28 -23.13 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.185 0.516 . . . . 0.0 111.395 -175.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 p -75.09 -24.67 58.17 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.54 -52.98 48.59 Favored Pre-proline 0 CA--C 1.541 0.597 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 -172.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.488 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 74.4 Cg_endo -71.76 1.78 5.38 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 122.237 1.958 . . . . 0.0 113.573 -172.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 67.6 mt -73.22 -44.12 56.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.188 0.518 . . . . 0.0 109.775 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -96.82 -53.79 3.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.62 175.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.777 ' HB3' ' HB3' ' A' ' 94' ' ' LYS . 22.0 m-20 -94.71 42.62 1.09 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.679 -170.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.536 ' HB1' ' HA ' ' A' ' 25' ' ' LEU . . . -58.48 -47.45 84.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.289 0.566 . . . . 0.0 110.726 -174.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -70.73 -26.59 63.45 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.006 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.777 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 28.1 tptp -72.23 -35.98 68.99 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 91' ' ' ASP . 89.8 t -64.72 -40.63 89.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.393 175.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.7 -44.44 98.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.065 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -61.42 -33.46 73.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.752 178.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.81 -40.53 91.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.521 176.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.21 -43.04 96.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.956 0.408 . . . . 0.0 110.457 177.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.436 HD13 HD11 ' A' ' 103' ' ' ILE . 4.2 mm? -61.9 -31.65 71.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.792 175.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.54 -17.64 64.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.446 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.02 -15.41 41.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.571 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.46 HG23 HG11 ' A' ' 79' ' ' VAL . 31.0 pt -119.57 -18.21 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.3 t70 . . . . . 0 C--N 1.326 -0.424 0 CA-C-O 120.433 0.158 . . . . 0.0 110.872 -175.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.522 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 85.6 mttt . . . . . 0 N--CA 1.465 0.302 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 3' ' ' ARG . 0.6 OUTLIER -59.74 129.99 44.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 0.0 110.317 -176.091 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.438 ' NZ ' HD12 ' A' ' 35' ' ' LEU . 72.2 mmtt -78.66 105.91 10.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.736 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 48.7 mt -122.33 132.39 71.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 120.983 0.421 . . . . 0.0 110.969 -175.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.75 ' HB ' HD21 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -111.39 131.94 61.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.665 176.211 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.479 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -134.48 140.2 46.04 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.903 0.382 . . . . 0.0 111.053 -175.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.7 t -122.02 117.57 52.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.198 176.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.536 HG22 ' HB3' ' A' ' 64' ' ' ALA . 21.9 p -99.84 123.75 44.43 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.471 175.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.605 ' HA ' ' O ' ' A' ' 41' ' ' GLN . . . -141.88 98.05 3.26 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.733 -174.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.49 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 53.6 t -137.87 107.79 6.32 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.342 177.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.07 -32.82 33.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.15 177.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 m -60.19 -46.95 87.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.742 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -129.94 86.0 0.31 Allowed Glycine 0 N--CA 1.443 -0.854 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 177.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.3 p -62.97 -29.14 46.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.661 0.267 . . . . 0.0 111.363 -176.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.94 -31.74 72.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.04 0.448 . . . . 0.0 110.463 177.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -68.11 -41.52 81.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.867 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.49 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 28.8 m -56.19 -50.81 70.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.217 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.4 ' HD1' ' N ' ' A' ' 19' ' ' TYR . 2.0 m-30 -71.07 -39.85 71.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.997 -175.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.9 ttt -66.34 -40.8 90.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.557 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.442 ' HA ' HG12 ' A' ' 89' ' ' ILE . . . -60.97 -48.61 81.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.415 ' HA ' HG11 ' A' ' 38' ' ' VAL . . . -56.73 -41.28 77.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -71.14 -48.4 52.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.104 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.85 -39.14 93.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.038 0.447 . . . . 0.0 111.076 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.7 tp -64.97 -39.29 93.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.587 177.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -70.1 -28.99 65.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.437 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -65.81 -42.39 90.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.692 176.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.86 -39.46 96.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.736 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.62 -37.83 87.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.501 0.191 . . . . 0.0 110.554 176.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -66.47 -38.34 87.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.821 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -65.99 -53.88 33.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.308 0.575 . . . . 0.0 110.622 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.3 mmt -73.72 -29.0 62.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.243 -177.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.04 57.55 1.3 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.434 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -128.32 170.89 12.55 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.522 ' HG ' ' HB3' ' A' ' 2' ' ' LYS . 79.0 mt -116.03 109.45 17.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.951 0.405 . . . . 0.0 110.035 178.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.47 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 16.3 tt -119.78 141.85 38.01 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.787 -176.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.426 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 15.5 mmtp -115.16 104.55 11.97 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.53 176.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 15.6 t -101.94 121.15 52.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.094 -176.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 40.1 tt0 -94.42 140.63 29.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.586 177.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.0 p -110.79 106.96 16.31 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.999 0.428 . . . . 0.0 110.311 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.605 ' O ' ' HA ' ' A' ' 10' ' ' ALA . 6.5 tt0 -118.3 101.15 7.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.434 -175.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.92 -76.83 1.25 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.367 -0.92 . . . . 0.0 111.91 -177.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.431 ' C ' ' H ' ' A' ' 45' ' ' GLY . . . -143.06 93.7 2.53 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.8 p 59.59 -5.7 0.07 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.521 1.129 . . . . 0.0 113.597 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.431 ' H ' ' C ' ' A' ' 43' ' ' ALA . . . -99.88 113.89 4.85 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 176.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.7 mm -97.81 115.56 38.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 120.429 0.157 . . . . 0.0 111.132 -173.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -109.75 132.74 53.87 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 173.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.431 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 6.8 t30 63.9 71.33 0.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 O-C-N 124.221 0.95 . . . . 0.0 109.3 -171.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.06 110.82 1.94 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.865 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.75 HD21 ' HB ' ' A' ' 6' ' ' ILE . 12.8 tp -77.37 99.77 5.69 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-O 121.3 0.571 . . . . 0.0 109.954 -178.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.469 ' O ' HG23 ' A' ' 55' ' ' VAL . 13.5 t -82.6 168.33 17.43 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.441 -170.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -55.16 -38.85 68.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.207 -173.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.44 ' O ' HG12 ' A' ' 57' ' ' ILE . 72.8 mmtt -56.87 -49.26 76.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.543 0.211 . . . . 0.0 111.136 -179.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -65.89 -42.19 90.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.07 0.462 . . . . 0.0 110.693 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.632 HG11 ' HG3' ' A' ' 74' ' ' ARG . 59.7 t -66.4 -39.03 83.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.012 -175.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -73.12 -34.16 65.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.528 0.204 . . . . 0.0 111.021 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' ' 53' ' ' LYS . 37.6 mm -72.82 -48.97 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.747 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.57 135.08 41.66 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.786 178.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.61 -43.75 7.44 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 122.514 -0.403 . . . . 0.0 111.517 -175.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.469 HG23 HG23 ' A' ' 5' ' ' ILE . 14.0 m -103.56 136.02 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.112 0.482 . . . . 0.0 110.91 179.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.569 HG22 HD11 ' A' ' 6' ' ' ILE . 11.8 t -110.23 135.76 48.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.004 -178.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.8 mt -115.86 117.9 57.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 120.978 0.418 . . . . 0.0 110.243 176.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -104.1 94.42 5.37 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.364 176.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.536 ' HB3' HG22 ' A' ' 9' ' ' THR . . . -95.59 91.44 6.14 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 172.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 10' ' ' ALA . 28.1 m -132.79 -175.44 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 121.723 0.773 . . . . 0.0 112.572 -168.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -153.62 -34.7 0.11 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.185 -1.371 . . . . 0.0 108.406 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.4 t -110.03 -172.15 1.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.548 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -77.05 152.8 34.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.076 0.465 . . . . 0.0 111.339 -177.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.6 t -115.46 134.12 59.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.65 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -84.81 -43.98 13.69 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.953 0.406 . . . . 0.0 111.047 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.477 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 92.0 m-20 -75.17 -5.62 45.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.436 -173.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.583 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 0.1 OUTLIER -53.43 -23.44 9.94 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.786 0.327 . . . . 0.0 111.055 178.275 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.423 ' N ' ' HD2' ' A' ' 72' ' ' LYS . 5.7 pt-20 -44.1 -43.53 6.98 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.758 176.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.632 ' HG3' HG11 ' A' ' 55' ' ' VAL . 7.0 ptp180 -81.78 -29.74 32.62 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -177.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.665 ' HZ ' HD23 ' A' ' 50' ' ' LEU . 55.4 m-85 -81.47 -23.03 37.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.701 0.286 . . . . 0.0 110.609 -178.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -63.0 121.28 13.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.915 175.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.58 -5.23 40.45 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -174.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.433 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 25.3 mtpp -109.31 -175.34 2.73 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 175.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.2 t -94.85 108.25 20.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 -177.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.545 HG12 ' HB ' ' A' ' 61' ' ' VAL . 1.4 m -123.9 152.68 29.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.313 0.577 . . . . 0.0 111.499 -175.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.8 tp -116.25 129.76 56.44 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.033 171.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -110.85 109.24 19.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.844 0.354 . . . . 0.0 110.774 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 19.6 m -125.93 163.17 41.1 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.702 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -62.5 144.27 94.37 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.34 2.027 . . . . 0.0 111.488 174.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.514 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 14.4 p -59.53 -33.52 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -176.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.7 m -74.21 -19.32 60.57 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -178.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.13 -53.95 37.06 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -174.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -68.74 -3.68 11.74 Favored 'Trans proline' 0 C--N 1.359 1.114 0 C-N-CA 122.471 2.114 . . . . 0.0 113.28 -176.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.442 HG12 ' HA ' ' A' ' 21' ' ' ALA . 68.6 mt -67.37 -45.47 85.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 174.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -96.33 -53.82 3.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.935 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.581 ' O ' HG23 ' A' ' 95' ' ' VAL . 11.5 m-20 -90.86 39.73 1.0 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.545 -173.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.39 -50.2 65.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.598 -176.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -60.63 -38.98 86.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -177.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -72.79 -35.91 67.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.167 -176.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 91' ' ' ASP . 67.1 t -64.67 -41.43 92.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.194 176.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.12 -46.93 95.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.588 177.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -66.73 -31.24 71.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.976 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.06 -37.29 83.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.899 178.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.7 -40.54 97.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.285 0.564 . . . . 0.0 110.109 176.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 83.5 mt -69.96 -29.85 67.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.391 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.14 -16.75 64.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.245 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 74.5 mt -84.03 -26.73 28.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.314 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.428 HG13 ' N ' ' A' ' 104' ' ' ASP . 21.3 pt -105.32 -48.7 9.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.361 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.428 ' N ' HG13 ' A' ' 103' ' ' ILE . 14.9 m-20 . . . . . 0 C--N 1.327 -0.404 0 CA-C-O 120.785 0.326 . . . . 0.0 110.303 -177.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 59.2 mtmt . . . . . 0 CA--C 1.519 -0.222 0 CA-C-O 121.536 0.684 . . . . 0.0 110.456 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.584 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 18.9 tpp180 -61.66 125.54 24.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.691 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -80.7 113.59 19.0 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.9 mt -124.79 139.53 50.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.94 -177.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.614 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -119.82 136.8 55.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 170.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.564 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -143.94 145.13 32.05 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.813 0.34 . . . . 0.0 111.006 -175.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.0 t -118.51 121.01 66.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.5 p -107.63 115.19 29.71 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.812 177.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.61 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . . . -138.03 146.75 43.43 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.77 0.319 . . . . 0.0 111.191 -175.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.992 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 38.6 t -163.06 134.31 4.88 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 176.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.22 -32.18 10.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.007 0.432 . . . . 0.0 110.192 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.7 p -70.62 -52.05 23.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.546 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -119.39 100.23 0.79 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.532 -177.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.0 t -58.4 -43.32 86.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.804 0.335 . . . . 0.0 111.223 -178.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.58 -30.71 69.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.351 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 56.9 m170 -65.17 -40.56 94.47 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.123 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.9 m -56.78 -42.75 79.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.067 178.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -78.56 -44.68 23.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.112 -175.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.9 tpt -60.03 -43.41 95.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.649 0.261 . . . . 0.0 111.024 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.38 -44.78 95.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.481 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.62 -40.12 92.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.065 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -65.89 -47.05 76.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.9 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.63 -44.08 97.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.964 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 25' ' ' LEU . 46.0 mt -63.05 -43.6 98.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.425 178.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -64.94 -31.46 72.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.363 . . . . 0.0 110.84 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -76.31 -48.04 21.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.756 0.312 . . . . 0.0 110.196 175.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.429 ' O ' ' HB3' ' A' ' 31' ' ' LYS . . . -57.27 -32.84 64.19 Favored Glycine 0 CA--C 1.517 0.212 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.94 179.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.49 -52.04 67.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.788 0.328 . . . . 0.0 110.982 175.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -68.78 -26.3 65.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.827 0.346 . . . . 0.0 110.673 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.429 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 26.5 tptp -62.59 -36.24 82.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.262 176.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.7 mtt -101.0 1.57 39.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.457 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.02 42.9 83.82 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 116.046 -0.524 . . . . 0.0 112.912 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.584 ' HB2' ' O ' ' A' ' 3' ' ' ARG . 10.7 p30 -122.77 174.74 6.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.055 0.455 . . . . 0.0 111.069 177.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.8 mp -116.19 113.12 22.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.172 -176.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.9 tt -113.14 143.57 22.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.439 0.638 . . . . 0.0 111.239 -175.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.722 ' HB3' HD22 ' A' ' 50' ' ' LEU . 19.7 mmtm -115.79 104.37 11.59 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.124 -0.944 . . . . 0.0 108.515 170.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.564 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 7.5 p -108.64 125.88 65.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.094 0.473 . . . . 0.0 111.182 -177.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.881 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 40.1 tt0 -95.79 110.93 23.01 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.535 177.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.823 ' HB ' ' HB3' ' A' ' 47' ' ' GLU . 2.8 m -81.18 98.8 8.23 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.598 177.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.61 ' HB3' ' HB2' ' A' ' 10' ' ' ALA . 1.2 tm0? -92.08 101.33 13.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.327 0.584 . . . . 0.0 109.716 -178.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.71 55.48 4.85 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.805 -175.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 65.2 83.67 0.16 Allowed 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 123.027 0.531 . . . . 0.0 109.954 -178.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.5 m 76.18 -33.91 0.22 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.36 -178.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.36 158.31 43.56 Favored Glycine 0 C--O 1.227 -0.282 0 C-N-CA 121.05 -0.595 . . . . 0.0 111.647 176.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.6 mm -128.47 131.1 69.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 117.072 0.436 . . . . 0.0 111.027 -175.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.823 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 31.0 tt0 -94.24 -36.6 11.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.699 0.285 . . . . 0.0 111.335 177.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -145.65 96.86 2.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.693 -0.231 . . . . 0.0 110.817 -172.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -57.32 134.09 55.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.014 0.435 . . . . 0.0 111.452 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.881 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 33.8 mt -91.06 102.81 15.57 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.66 172.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.74 153.65 43.25 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.733 -174.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -58.26 -41.54 84.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.183 -174.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -58.06 -47.25 83.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.31 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.82 -35.53 81.41 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 120.789 0.328 . . . . 0.0 111.065 -176.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.807 HG11 ' HG3' ' A' ' 74' ' ' ARG . 98.3 t -65.55 -43.55 94.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.25 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -68.95 -32.93 72.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.302 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 77.0 mt -75.53 -42.99 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.498 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.03 140.84 48.09 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.776 -0.647 . . . . 0.0 113.09 179.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -83.68 -72.11 0.47 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.094 0.473 . . . . 0.0 110.624 -178.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 28.0 m -98.71 146.39 8.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.122 -176.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.639 ' HB ' HG12 ' A' ' 80' ' ' VAL . 17.2 t -111.03 121.22 63.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.699 177.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.4 mt -100.44 119.41 48.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.243 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -105.38 104.46 14.19 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.641 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.692 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -108.69 89.51 3.02 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 169.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.566 HG12 ' HB3' ' A' ' 10' ' ' ALA . 17.1 m -134.68 140.97 44.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.586 0.708 . . . . 0.0 112.348 -168.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.992 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 16.7 t70 -105.07 1.56 28.62 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.461 -1.245 . . . . 0.0 109.084 173.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.435 ' O ' ' HB ' ' A' ' 65' ' ' VAL . 11.5 t -153.43 172.09 17.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.053 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -73.93 175.64 7.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.936 0.398 . . . . 0.0 110.488 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.401 ' CG2' ' HB2' ' A' ' 72' ' ' LYS . 33.0 m -132.66 174.66 12.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.99 0.424 . . . . 0.0 111.442 -174.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 71' ' ' ASN . 1.5 ptm180 -93.44 -46.88 7.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.997 -179.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.529 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 93.9 m-20 -76.29 -4.27 41.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.895 -169.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.401 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 63.1 tttm -47.11 -26.06 1.01 Allowed 'General case' 0 N--CA 1.471 0.609 0 O-C-N 123.224 0.328 . . . . 0.0 111.273 176.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -46.28 -53.38 10.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.231 176.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.807 ' HG3' HG11 ' A' ' 55' ' ' VAL . 10.5 ptp180 -87.93 -25.87 22.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.05 -172.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.485 ' HE1' HG13 ' A' ' 6' ' ' ILE . 26.1 m-85 -74.64 -19.57 60.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.847 0.356 . . . . 0.0 110.964 178.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -67.65 115.99 7.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.896 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.5 -13.87 32.88 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 -176.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -97.66 178.91 5.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.738 0.304 . . . . 0.0 110.33 178.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 67.1 t -90.4 108.28 19.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.128 -177.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.639 HG12 ' HB ' ' A' ' 61' ' ' VAL . 1.3 m -122.58 154.4 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.112 0.482 . . . . 0.0 111.27 -178.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.0 tp -117.02 121.42 41.3 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.301 173.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -105.3 100.02 9.62 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.084 0.468 . . . . 0.0 110.762 -176.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.1 m -123.75 164.36 29.32 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.76 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.69 153.18 76.77 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.456 2.104 . . . . 0.0 112.03 176.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.692 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 15.0 p -63.19 -23.66 33.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.131 0.491 . . . . 0.0 111.597 -177.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.9 m -73.91 -19.52 60.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.702 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.14 -57.8 16.73 Favored Pre-proline 0 CA--C 1.534 0.358 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -174.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.442 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 38.3 Cg_endo -65.23 -18.3 60.62 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.227 1.951 . . . . 0.0 112.93 -175.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 69.6 mt -66.11 -42.43 91.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.338 0.59 . . . . 0.0 110.342 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -96.26 -45.1 6.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.042 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.828 ' HB3' ' HB2' ' A' ' 94' ' ' LYS . 19.6 m-20 -112.79 42.37 1.88 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.921 -170.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.678 ' O ' HG12 ' A' ' 95' ' ' VAL . . . -53.38 -44.03 68.29 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -178.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -69.47 -30.9 68.89 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.652 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.828 ' HB2' ' HB3' ' A' ' 91' ' ' ASP . 0.8 OUTLIER -73.87 -43.11 59.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.041 0.448 . . . . 0.0 110.154 -179.769 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.678 HG12 ' O ' ' A' ' 92' ' ' ALA . 4.1 p -63.2 -37.44 79.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.37 -177.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.527 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 75.3 mt -65.25 -51.48 64.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.46 176.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -59.35 -41.19 88.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.961 0.41 . . . . 0.0 111.0 177.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.2 89.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.051 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.04 -38.33 85.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.407 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 71.5 mt -67.26 -31.71 72.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.646 178.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.7 -23.55 66.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.198 177.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.23 -29.03 66.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.578 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 35.0 pt -101.21 6.34 9.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.304 0.573 . . . . 0.0 109.576 172.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 22.4 t70 . . . . . 0 N--CA 1.463 0.215 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.964 178.14 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.52 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.2 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -74.79 146.88 41.73 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 -178.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.786 ' HB2' ' HG3' ' A' ' 59' ' ' GLU . 39.5 mmtm -96.66 118.73 33.76 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -176.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.572 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 62.1 mt -134.9 138.35 49.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.923 0.392 . . . . 0.0 110.884 -177.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.696 HD11 HG22 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -122.89 136.36 59.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 171.599 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -135.97 143.92 45.11 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.663 -175.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.475 ' HB ' ' CD1' ' A' ' 63' ' ' PHE . 58.4 t -122.58 132.3 71.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 177.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.599 HG22 ' HB3' ' A' ' 64' ' ' ALA . 17.3 p -116.62 128.14 55.11 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.089 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.13 96.42 1.32 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.761 0.315 . . . . 0.0 111.495 -176.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.733 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 46.9 t -118.09 129.63 55.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.72 0.295 . . . . 0.0 110.272 178.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.36 -16.44 22.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.939 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.1 m -69.58 -51.93 30.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.176 0.512 . . . . 0.0 110.3 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.48 112.56 0.65 Allowed Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.702 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.0 m -62.51 -28.13 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -176.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.69 -34.01 75.0 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.996 0.427 . . . . 0.0 110.851 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -70.99 -33.59 70.56 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.276 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.543 HG22 HG23 ' A' ' 40' ' ' THR . 15.8 m -63.17 -43.23 98.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.8 179.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -65.32 -40.53 93.86 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.82 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.479 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 24.7 ttt -75.06 -37.89 61.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.564 -175.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.92 -39.43 85.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.968 0.413 . . . . 0.0 110.45 178.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.98 -47.79 76.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.254 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 20' ' ' MET . 2.6 pt20 -72.47 -29.72 63.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.086 -176.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.424 ' O ' ' HB3' ' A' ' 27' ' ' LYS . . . -74.07 -40.41 62.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.783 0.325 . . . . 0.0 110.737 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.9 mt -63.07 -42.8 99.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.573 174.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -65.31 -34.79 79.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.844 177.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 24' ' ' ALA . 24.1 tttm -56.99 -55.79 30.07 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.953 173.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.53 -40.4 99.07 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.624 -176.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.55 -48.53 74.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.616 0.246 . . . . 0.0 111.094 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -69.76 -25.54 63.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.5 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -60.36 -32.52 71.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.319 0.581 . . . . 0.0 110.164 174.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.543 ' HB2' ' ND2' ' A' ' 34' ' ' ASN . 86.9 mmm -100.11 4.92 44.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.423 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.459 ' O ' ' HG3' ' A' ' 2' ' ' LYS . . . 71.45 28.01 70.39 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.743 -0.662 . . . . 0.0 113.034 178.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.543 ' ND2' ' HB2' ' A' ' 32' ' ' MET . 86.8 m-20 -88.42 169.45 11.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.244 0.545 . . . . 0.0 111.526 -176.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.52 ' HG ' ' HB3' ' A' ' 2' ' ' LYS . 72.3 mt -110.19 119.03 37.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.475 -0.784 . . . . 0.0 108.916 178.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.572 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 16.5 tt -136.57 139.28 45.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.184 0.516 . . . . 0.0 111.751 -172.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -116.09 109.71 17.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.567 173.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.9 t -101.54 119.02 49.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.062 -176.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.465 ' HB3' HG22 ' A' ' 8' ' ' VAL . 35.8 tt0 -94.49 153.36 17.95 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.071 174.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.543 HG23 HG22 ' A' ' 18' ' ' THR . 61.6 m -132.06 131.91 42.86 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.769 176.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.537 ' HG3' HG12 ' A' ' 46' ' ' ILE . 1.6 tm0? -129.06 131.48 47.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.918 0.39 . . . . 0.0 110.082 -179.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -106.03 69.6 0.23 Allowed Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.173 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 73.95 -42.12 0.5 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.708 0.803 . . . . 0.0 112.138 174.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.2 t -149.85 -21.01 0.26 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.049 0.452 . . . . 0.0 110.605 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.47 111.13 4.15 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.593 -0.813 . . . . 0.0 111.444 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.537 HG12 ' HG3' ' A' ' 41' ' ' GLN . 44.6 mt -91.72 127.0 44.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 -178.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -73.37 -63.57 1.16 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.993 0.425 . . . . 0.0 111.332 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.424 ' HB3' ' HG3' ' A' ' 39' ' ' GLU . 47.7 t30 -87.4 -52.72 5.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.673 -174.056 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.44 ' HA ' HD21 ' A' ' 71' ' ' ASN . 4.5 tm-20 64.75 83.93 0.16 Allowed 'General case' 0 C--O 1.233 0.22 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -170.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.591 HD21 ' HB ' ' A' ' 6' ' ' ILE . 11.9 tp -65.09 110.5 2.53 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.952 -172.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.9 p -68.35 163.89 22.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.853 -175.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -62.83 -35.52 80.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.5 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.51 ' O ' HG13 ' A' ' 57' ' ' ILE . 67.8 mttm -63.79 -42.42 97.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.098 179.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -66.29 -46.85 75.56 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.448 0.642 . . . . 0.0 109.95 175.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.022 HG11 ' HB3' ' A' ' 74' ' ' ARG . 29.6 t -56.73 -47.06 83.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.835 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -71.98 -8.99 57.69 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -175.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 53' ' ' LYS . 78.2 mt -81.92 -49.51 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 172.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.564 ' HA3' HG23 ' A' ' 6' ' ' ILE . . . -65.63 138.94 38.48 Favored Glycine 0 C--N 1.331 0.254 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.749 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.786 ' HG3' ' HB2' ' A' ' 4' ' ' LYS . 27.3 mt-10 -89.03 -63.29 1.31 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.976 0.417 . . . . 0.0 110.275 -178.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.3 m -95.99 147.96 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.999 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.696 HG22 HD11 ' A' ' 6' ' ' ILE . 19.9 t -116.26 129.96 71.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.408 -178.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.7 mt -115.95 124.45 72.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.256 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.62 ' HB2' ' HG2' ' A' ' 82' ' ' GLU . 45.6 m-85 -108.42 107.75 18.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.906 176.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.605 ' HB2' ' HG3' ' A' ' 88' ' ' PRO . . . -96.89 89.59 4.92 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 168.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.7 m -138.23 154.44 27.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 121.705 0.764 . . . . 0.0 112.668 -167.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.733 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 19.3 t70 -113.42 -27.22 7.99 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.082 -1.417 . . . . 0.0 108.476 170.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.4 t -121.03 174.84 6.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.936 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.9 167.61 14.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.77 0.319 . . . . 0.0 110.769 -176.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.402 ' CG2' ' HB2' ' A' ' 72' ' ' LYS . 14.8 m -131.57 168.74 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.136 -179.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.51 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 40.9 ttm180 -92.86 -46.52 7.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.812 0.339 . . . . 0.0 111.423 179.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.44 HD21 ' HA ' ' A' ' 49' ' ' GLU . 55.8 m-20 -65.99 -5.73 10.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.926 -172.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.529 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 55.0 tttp -46.95 -27.91 1.44 Allowed 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.43 172.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 18.6 mt-10 -46.77 -52.71 13.46 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.645 0.736 . . . . 0.0 110.929 177.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 1.022 ' HB3' HG11 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -59.3 -33.98 71.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.613 -1.176 . . . . 0.0 112.911 -175.514 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.529 ' HD2' ' HA ' ' A' ' 72' ' ' LYS . 21.1 m-85 -83.93 -9.42 58.71 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.768 -171.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -63.36 -30.17 71.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.154 0.502 . . . . 0.0 110.621 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -80.67 -8.05 87.92 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.781 -0.645 . . . . 0.0 113.112 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.447 ' HB3' ' H ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -121.33 -154.68 0.6 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.735 0.268 . . . . 0.0 110.879 -178.212 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.699 HG11 ' HB3' ' A' ' 102' ' ' LEU . 45.5 t -110.95 126.73 68.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.661 0.267 . . . . 0.0 110.294 -175.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 62.1 t -119.25 138.31 50.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.303 -174.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -128.74 101.42 6.11 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 174.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.62 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 44.6 mt-10 -91.9 141.63 28.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.047 -177.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.0 m -139.91 162.5 50.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.612 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.05 147.17 91.52 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.25 1.967 . . . . 0.0 110.473 170.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.563 HG21 ' HB2' ' A' ' 11' ' ' CYS . 10.7 p -63.84 -28.25 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 -172.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.8 p -75.31 -24.2 57.43 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.435 ' N ' ' HD2' ' A' ' 88' ' ' PRO . . . -61.39 -53.5 61.66 Favored Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -173.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.605 ' HG3' ' HB2' ' A' ' 64' ' ' ALA . 40.8 Cg_endo -65.63 -6.27 13.46 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 122.255 1.97 . . . . 0.0 113.235 -176.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 67.0 mt -80.88 -42.14 20.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.145 0.497 . . . . 0.0 110.204 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -96.44 -24.77 15.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.612 -178.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.562 ' O ' HG23 ' A' ' 95' ' ' VAL . 14.8 t70 -125.04 27.41 6.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.238 -168.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 88' ' ' PRO . . . -52.67 -52.89 53.89 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -172.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -63.43 -37.55 87.7 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.776 0.322 . . . . 0.0 111.336 -177.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.428 ' HB3' ' CG ' ' A' ' 91' ' ' ASP . 28.8 tptp -73.39 -39.54 65.03 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.21 -176.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 91' ' ' ASP . 85.4 t -61.94 -42.75 95.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.722 176.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.581 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 75.9 mt -64.36 -43.58 97.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.985 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -67.66 -29.19 68.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 177.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.31 -43.38 70.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.41 176.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.79 -37.44 79.1 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.405 176.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 92.3 mt -62.3 -29.07 70.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.998 178.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.32 -16.05 63.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.813 0.34 . . . . 0.0 111.457 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.699 ' HB3' HG11 ' A' ' 79' ' ' VAL . 4.1 mm? -83.32 -30.23 27.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.735 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 25.6 pt -107.28 -40.26 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 120.757 0.313 . . . . 0.0 111.776 -178.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.168 177.944 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp . . . . . 0 N--CA 1.466 0.357 0 CA-C-O 121.23 0.538 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.689 ' HE ' ' HG3' ' A' ' 59' ' ' GLU . 13.8 tpt180 -94.87 145.6 24.79 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 177.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.568 ' HD2' ' HB2' ' A' ' 35' ' ' LEU . 14.6 mmmm -81.82 123.56 28.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.982 0.42 . . . . 0.0 110.74 -178.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.415 HG23 HG23 ' A' ' 60' ' ' VAL . 66.2 mt -122.1 131.97 72.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.922 177.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.713 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -105.26 126.58 60.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 174.39 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.549 ' HA ' ' O ' ' A' ' 62' ' ' ILE . . . -135.89 140.96 44.49 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.57 -177.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.527 HG22 ' HB3' ' A' ' 39' ' ' GLU . 53.3 t -124.97 124.77 68.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.071 0.463 . . . . 0.0 111.019 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.638 HG22 ' HB3' ' A' ' 64' ' ' ALA . 29.1 p -107.64 112.39 25.08 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 174.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.578 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . . . -131.09 97.21 4.23 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.932 0.396 . . . . 0.0 111.427 -173.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.835 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 47.0 t -112.91 130.45 56.11 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.466 ' HB2' ' HB ' ' A' ' 67' ' ' THR . . . -92.62 -56.84 2.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.912 0.387 . . . . 0.0 110.398 -178.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.0 p -98.64 106.07 18.3 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.255 177.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.85 69.65 0.48 Allowed Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -175.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 m -63.22 -18.27 21.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -176.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.99 -34.52 68.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.011 0.434 . . . . 0.0 110.314 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -64.95 -39.14 93.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.204 177.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.552 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 2.2 m -56.17 -50.73 70.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.435 -177.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -80.1 -35.99 36.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.206 -176.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.7 tpt -68.35 -42.43 79.25 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.619 -0.433 . . . . 0.0 111.185 -177.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.3 -44.49 95.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.702 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.67 99.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.158 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -66.34 -49.26 67.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.33 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.7 -42.74 90.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.986 0.422 . . . . 0.0 111.094 -177.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.7 tp -61.76 -47.11 86.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.948 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -64.61 -41.04 96.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.663 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -66.73 -37.9 85.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.37 -38.4 94.92 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.879 -0.676 . . . . 0.0 112.096 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.484 ' HA ' HD13 ' A' ' 96' ' ' ILE . . . -71.24 -39.19 71.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.74 0.305 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -69.65 -25.78 64.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.491 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -60.8 -27.88 68.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.171 0.51 . . . . 0.0 110.325 176.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.5 mmt -99.82 12.14 37.47 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.68 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.03 55.11 29.96 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.538 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -122.92 167.09 14.01 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.719 0.295 . . . . 0.0 110.583 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.568 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 91.9 mt -112.94 94.16 4.77 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.3 tt -105.31 143.05 17.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.708 -176.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.44 ' HB3' HD22 ' A' ' 50' ' ' LEU . 61.1 mmtt -115.51 105.17 12.49 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.163 174.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.9 t -97.09 120.87 46.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.644 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.636 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 35.3 tt0 -95.66 134.6 38.38 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 176.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.941 ' HB ' ' HB2' ' A' ' 47' ' ' GLU . 13.7 m -112.89 93.31 4.36 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 120.978 0.418 . . . . 0.0 110.329 -176.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.578 ' HB3' ' HB2' ' A' ' 10' ' ' ALA . 53.0 tt0 -90.19 106.44 18.49 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.212 0.53 . . . . 0.0 110.69 -177.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.33 68.98 3.22 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.273 176.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.525 ' HA ' HG21 ' A' ' 67' ' ' THR . . . 70.82 -77.09 0.06 Allowed 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 123.546 0.739 . . . . 0.0 111.051 179.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.7 m -106.0 -28.67 10.41 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.903 0.383 . . . . 0.0 110.557 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -87.05 159.42 31.27 Favored Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 -177.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 77.0 mt -131.3 115.56 29.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 117.006 0.403 . . . . 0.0 111.311 -176.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.941 ' HB2' ' HB ' ' A' ' 40' ' ' THR . 60.8 mm-40 -84.66 140.98 30.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.779 172.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.445 ' HB3' ' O ' ' A' ' 47' ' ' GLU . 37.4 t30 76.18 -62.21 0.43 Allowed 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.971 0.795 . . . . 0.0 111.358 176.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 66.6 110.42 0.04 OUTLIER 'General case' 0 C--O 1.235 0.33 0 O-C-N 123.749 0.656 . . . . 0.0 110.953 -177.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.636 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 65.4 mt -64.74 119.79 11.25 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.343 -176.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.39 147.99 48.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.344 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -57.04 -41.28 78.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.597 -177.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -60.36 -41.48 93.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.168 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -72.16 -38.57 69.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.095 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.511 ' HA ' HG21 ' A' ' 6' ' ' ILE . 57.3 t -61.75 -45.06 99.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.643 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -75.08 -28.11 60.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.787 -175.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.2 mm -87.35 -29.49 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.948 0.404 . . . . 0.0 110.637 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.01 130.31 50.83 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.385 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.689 ' HG3' ' HE ' ' A' ' 3' ' ' ARG . 7.2 mm-40 -81.43 -72.5 0.42 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.113 0.482 . . . . 0.0 110.983 -177.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.713 ' HA ' HG13 ' A' ' 79' ' ' VAL . 22.2 m -95.14 144.27 10.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.644 -176.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.572 HG22 HD11 ' A' ' 6' ' ' ILE . 11.6 t -110.23 118.8 57.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.954 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.549 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 77.6 mt -108.2 133.79 52.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.463 -178.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.593 ' HB2' ' HG3' ' A' ' 82' ' ' GLU . 79.5 m-85 -123.51 134.29 53.9 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.96 0.41 . . . . 0.0 110.902 176.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.664 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -129.74 92.12 3.27 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 172.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.574 HG12 ' HB3' ' A' ' 10' ' ' ALA . 28.4 m -130.99 150.51 34.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -166.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.835 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 7.0 t70 -106.17 -31.35 8.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 113.983 -1.462 . . . . 0.0 108.805 173.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.525 HG21 ' HA ' ' A' ' 43' ' ' ALA . 15.0 t -118.09 -171.55 2.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.174 178.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -78.66 167.22 21.55 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.355 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.763 ' HB ' ' HB2' ' A' ' 72' ' ' LYS . 18.1 t -114.0 140.03 36.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -177.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -81.75 -56.84 3.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.247 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.496 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 89.2 m-20 -74.69 -7.13 52.32 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -175.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.763 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 85.6 tttt -52.86 -27.38 18.16 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.928 0.395 . . . . 0.0 111.323 179.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -52.1 -34.44 44.12 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -178.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 71' ' ' ASN . 9.9 ptp180 -81.37 -7.58 59.6 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -175.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.615 ' CE1' HG13 ' A' ' 6' ' ' ILE . 30.9 m-85 -98.16 20.99 11.46 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 122.199 -0.313 . . . . 0.0 110.776 177.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -56.34 -42.0 77.02 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.614 -175.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -104.73 15.42 48.92 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.771 -178.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.561 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 26.2 mtpp -107.29 162.35 13.98 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -177.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.713 HG13 ' HA ' ' A' ' 60' ' ' VAL . 3.2 p -74.44 117.03 17.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.289 0.566 . . . . 0.0 110.656 -175.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 85.1 t -108.88 121.53 62.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.841 -172.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.634 HD23 HD11 ' A' ' 102' ' ' LEU . 3.2 tm? -119.02 109.45 15.95 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 173.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.593 ' HG3' ' HB2' ' A' ' 63' ' ' PHE . 34.4 tt0 -115.17 132.08 56.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.11 -174.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 24.2 m -135.14 167.28 23.45 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.911 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.407 ' HD2' ' HB ' ' A' ' 83' ' ' VAL . 35.0 Cg_exo -61.06 153.1 66.73 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.473 2.115 . . . . 0.0 111.529 174.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.664 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 9.0 p -66.74 -24.26 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.132 0.492 . . . . 0.0 111.255 -174.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 p -75.45 -22.81 57.01 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.412 ' N ' ' HD2' ' A' ' 88' ' ' PRO . . . -65.61 -52.24 45.06 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -171.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 87' ' ' ALA . 59.3 Cg_endo -69.54 -3.7 12.38 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.133 1.888 . . . . 0.0 113.458 -173.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 64.2 mt -72.58 -44.48 60.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.411 0.624 . . . . 0.0 109.7 176.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -97.25 -49.42 4.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.151 177.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.589 ' O ' HG23 ' A' ' 95' ' ' VAL . 5.1 m-20 -95.66 36.35 1.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.961 -171.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.15 -49.17 67.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.595 0.236 . . . . 0.0 111.299 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -64.92 -36.06 83.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.809 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.565 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 17.7 tppt? -65.9 -45.09 83.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.132 -179.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 91' ' ' ASP . 57.8 t -61.31 -45.19 99.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.842 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.484 HD13 ' HA ' ' A' ' 29' ' ' ALA . 79.5 mt -64.15 -50.56 76.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.742 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -59.72 -41.78 91.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.036 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.548 ' O ' ' HG ' ' A' ' 102' ' ' LEU . . . -60.71 -39.49 88.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.074 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.25 -48.93 77.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.805 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.17 -31.37 71.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.031 0.443 . . . . 0.0 110.735 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.45 -17.85 65.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.624 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.634 HD11 HD23 ' A' ' 81' ' ' LEU . 85.4 mt -80.04 -19.32 47.89 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.703 0.287 . . . . 0.0 111.373 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 28.4 pt -117.29 -41.13 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -177.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 120.604 0.24 . . . . 0.0 111.5 -175.552 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.631 ' HE2' HD21 ' A' ' 35' ' ' LEU . 56.3 mtpt . . . . . 0 C--O 1.233 0.225 0 CA-C-O 121.453 0.644 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.463 ' HD2' ' HA ' ' A' ' 3' ' ' ARG . 13.0 tpt180 -88.18 169.45 11.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.657 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -111.26 125.99 54.41 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -178.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 66.8 mt -137.14 131.75 46.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.641 0.258 . . . . 0.0 111.314 -178.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.634 ' HB ' HD13 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -110.78 130.24 64.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 171.401 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.55 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -142.06 126.54 17.78 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.798 0.332 . . . . 0.0 111.15 -174.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.403 ' HA ' ' HB3' ' A' ' 39' ' ' GLU . 38.8 t -95.89 118.16 41.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.024 177.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.498 HG22 ' HB3' ' A' ' 64' ' ' ALA . 19.4 p -117.34 113.77 22.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.915 178.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.627 ' O ' ' HA ' ' A' ' 65' ' ' VAL . . . -160.04 160.66 33.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.849 0.357 . . . . 0.0 111.096 -176.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.648 ' SG ' ' HB2' ' A' ' 17' ' ' HIS . 24.9 p -157.83 142.16 16.13 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.314 178.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.521 ' HB2' ' HB ' ' A' ' 67' ' ' THR . . . -90.54 -32.46 16.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.256 0.551 . . . . 0.0 109.837 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.5 p -111.87 133.85 53.8 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.1 175.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.18 58.66 5.01 Favored Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -175.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.1 m -59.98 -16.95 12.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -169.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.46 -26.56 66.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.93 0.395 . . . . 0.0 110.909 176.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.648 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 37.0 m80 -64.64 -36.65 84.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.066 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.602 HG23 ' HA ' ' A' ' 10' ' ' ALA . 27.3 m -57.91 -37.87 74.82 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 121.096 0.474 . . . . 0.0 111.255 -177.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -90.69 -43.87 9.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.813 -174.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.4 tpt -64.67 -42.05 95.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 -178.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.457 ' HB1' ' HG2' ' A' ' 88' ' ' PRO . . . -63.51 -47.07 83.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.309 -177.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.58 -41.96 95.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.408 -178.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -71.47 -42.15 68.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.382 -178.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.66 -39.1 80.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.968 0.413 . . . . 0.0 110.382 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.5 tp -64.62 -40.21 95.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.781 175.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -59.05 -43.71 91.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.01 175.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -59.57 -47.42 85.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.62 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.74 -43.31 99.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.959 178.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.524 ' HA ' HD21 ' A' ' 34' ' ' ASN . . . -63.7 -37.88 89.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.924 0.392 . . . . 0.0 110.92 178.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -65.89 -38.92 90.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.288 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -65.58 -49.81 67.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.845 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 85.7 mtp -70.15 -24.37 63.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.539 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 2' ' ' LYS . . . 83.56 62.59 1.77 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.44 175.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.533 ' HA ' ' HA ' ' A' ' 2' ' ' LYS . 9.7 p30 -135.55 177.3 7.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.731 0.3 . . . . 0.0 110.589 176.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.631 HD21 ' HE2' ' A' ' 2' ' ' LYS . 2.8 mm? -107.47 109.96 21.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.367 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.6 tt -114.93 141.21 32.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 121.338 0.589 . . . . 0.0 111.308 -175.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.483 ' HB3' HD22 ' A' ' 50' ' ' LEU . 7.0 mmtm -115.8 101.66 9.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.391 175.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.55 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 15.2 m -93.91 127.23 46.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.111 0.481 . . . . 0.0 110.831 -179.169 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.521 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 28.5 tt0 -95.32 146.51 24.32 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.853 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.6 m -127.07 119.55 26.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.757 -174.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -124.14 136.96 54.58 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.36 -60.21 1.94 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.349 -0.929 . . . . 0.0 111.961 177.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -143.29 -39.42 0.32 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.964 0.411 . . . . 0.0 110.258 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.2 t -148.95 -18.64 0.3 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.506 175.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.79 130.05 10.12 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.015 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 68.2 mt -99.71 127.54 52.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -92.98 -54.51 3.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.485 -177.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -95.77 74.67 3.15 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -65.82 124.6 22.89 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.558 -176.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.634 HD13 ' HB ' ' A' ' 6' ' ' ILE . 73.2 mt -80.61 111.26 16.88 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 174.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.54 ' O ' HG23 ' A' ' 55' ' ' VAL . 75.9 p -91.19 173.77 7.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.511 -174.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -48.71 -46.14 40.31 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.589 0.556 . . . . 0.0 110.982 -178.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.546 ' O ' HG12 ' A' ' 57' ' ' ILE . 5.4 tmmm? -57.67 -50.52 72.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.036 -179.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -63.44 -45.05 92.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.384 0.612 . . . . 0.0 110.528 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 51' ' ' THR . 89.7 t -61.21 -42.32 92.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 114.922 -1.035 . . . . 0.0 112.13 -174.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -78.13 -20.5 51.99 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.795 0.295 . . . . 0.0 111.795 -176.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.546 HG12 ' O ' ' A' ' 53' ' ' LYS . 42.6 mm -80.52 -42.51 21.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 176.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.43 135.56 42.16 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.859 -0.61 . . . . 0.0 113.133 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -76.91 -64.58 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.231 0.539 . . . . 0.0 110.141 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.419 HG13 HD13 ' A' ' 103' ' ' ILE . 17.7 m -107.53 151.76 9.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.036 -177.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.632 ' HB ' HG12 ' A' ' 80' ' ' VAL . 8.4 t -115.04 114.42 46.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.193 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 69.8 mt -100.41 131.79 47.28 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.08 179.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.402 ' HB2' ' HG2' ' A' ' 82' ' ' GLU . 73.3 m-85 -115.01 111.67 21.49 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.639 178.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.674 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -118.38 90.21 3.29 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 172.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.627 ' HA ' ' O ' ' A' ' 10' ' ' ALA . 12.3 m -141.32 141.07 31.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.469 0.652 . . . . 0.0 112.736 -169.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.551 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 9.8 t70 -97.33 -20.24 17.98 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.944 -1.026 . . . . 0.0 108.84 170.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.521 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 4.2 t -111.89 154.38 25.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.445 177.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -78.03 160.81 27.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.131 0.491 . . . . 0.0 110.678 -176.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.481 HG23 ' HB2' ' A' ' 72' ' ' LYS . 21.6 m -118.66 153.28 20.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.562 -178.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.514 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 15.7 ttt180 -90.99 -44.14 9.51 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.218 174.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.49 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 96.5 m-20 -60.16 -7.74 2.06 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -170.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.493 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 26.2 ttpp -51.39 -24.16 4.53 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 122.514 0.326 . . . . 0.0 110.6 174.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 12.3 mt-10 -41.16 -47.48 3.27 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.283 0.633 . . . . 0.0 111.656 175.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.517 ' HG3' HG11 ' A' ' 55' ' ' VAL . 6.4 ptp180 -87.9 -25.67 23.13 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.675 -173.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.493 ' HD2' ' HA ' ' A' ' 72' ' ' LYS . 23.8 m-85 -84.7 -10.59 57.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.679 0.276 . . . . 0.0 110.94 178.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.95 -27.51 66.85 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.57 -176.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.43 22.08 31.5 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.071 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.479 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 28.8 mtpp -122.9 178.4 5.06 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -178.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 44.8 t -90.22 111.63 23.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.632 HG12 ' HB ' ' A' ' 61' ' ' VAL . 2.4 m -117.77 161.84 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.208 0.528 . . . . 0.0 111.157 -176.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.557 HD23 HD11 ' A' ' 102' ' ' LEU . 3.1 tm? -143.43 115.49 8.36 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 176.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.402 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 45.1 mt-10 -97.16 133.52 41.69 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.99 0.424 . . . . 0.0 111.313 -176.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 12.4 m -140.01 163.28 45.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.091 177.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -60.79 146.16 97.83 Favored 'Trans proline' 0 CA--C 1.527 0.138 0 C-N-CA 122.451 2.1 . . . . 0.0 111.15 173.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.674 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 13.0 p -63.67 -26.43 40.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-O 121.032 0.444 . . . . 0.0 111.498 -176.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.7 m -74.96 -19.75 59.97 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.405 ' N ' ' HD2' ' A' ' 88' ' ' PRO . . . -63.15 -53.65 52.51 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -174.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.566 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 41.0 Cg_endo -66.94 -6.37 15.71 Favored 'Trans proline' 0 C--N 1.357 1.014 0 C-N-CA 122.057 1.838 . . . . 0.0 113.002 -177.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 70.4 mt -72.29 -49.59 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.974 0.416 . . . . 0.0 110.134 176.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -96.4 -40.63 9.01 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.579 -178.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.444 ' O ' HG23 ' A' ' 95' ' ' VAL . 38.2 t0 -123.08 40.7 3.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.385 0.612 . . . . 0.0 111.115 -166.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 88' ' ' PRO . . . -54.43 -41.45 69.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.2 -177.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.71 -41.26 98.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.784 -174.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -69.3 -36.07 76.65 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.113 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 91' ' ' ASP . 57.7 t -61.42 -43.33 96.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.384 177.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 85.0 mt -62.9 -47.37 93.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.817 177.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -61.47 -38.98 89.25 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.951 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.79 -40.08 82.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.928 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.03 -39.43 79.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.682 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.76 -31.76 72.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.783 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.06 -17.65 63.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.453 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.557 HD11 HD23 ' A' ' 81' ' ' LEU . 86.9 mt -83.18 -25.8 31.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.716 0.293 . . . . 0.0 111.171 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.419 HD13 HG13 ' A' ' 60' ' ' VAL . 25.9 pt -101.92 -46.2 11.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -177.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.414 ' N ' HG13 ' A' ' 103' ' ' ILE . 21.0 t70 . . . . . 0 C--N 1.325 -0.478 0 CA-C-O 120.868 0.366 . . . . 0.0 111.146 -174.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.609 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 55.2 mttp . . . . . 0 C--O 1.236 0.376 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.1 148.26 36.16 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 176.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -92.21 118.93 31.35 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.405 HG12 ' CG2' ' A' ' 60' ' ' VAL . 53.3 mt -127.0 126.75 68.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.136 -176.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.665 HG13 ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -106.22 123.27 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 171.29 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.474 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -130.87 138.43 49.82 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 -174.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.7 t -120.58 119.62 60.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.967 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.632 HG22 ' HB3' ' A' ' 64' ' ' ALA . 17.6 p -102.98 120.32 40.43 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.111 176.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.688 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . . . -137.14 161.16 36.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.764 -175.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 1.017 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 45.0 t -154.86 152.41 29.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.225 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.609 ' HB2' ' HB ' ' A' ' 67' ' ' THR . . . -111.92 -17.27 12.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.952 0.406 . . . . 0.0 110.789 178.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 p -100.07 -87.08 0.37 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.372 -177.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.13 112.94 4.49 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.499 177.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 49.9 t -58.43 -34.15 49.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.716 0.293 . . . . 0.0 111.48 -175.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.84 -21.59 57.06 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -177.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -63.87 -29.3 70.5 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 121.175 -0.21 . . . . 0.0 111.156 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.1 p -62.28 -52.64 62.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.928 0.394 . . . . 0.0 110.962 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -59.93 -45.66 91.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.871 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.8 ttt -59.03 -47.31 85.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.974 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.654 ' HA ' HG12 ' A' ' 89' ' ' ILE . . . -61.41 -46.91 88.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.525 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.14 -46.43 88.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.362 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -63.52 -47.9 79.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.492 -178.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.457 ' O ' ' HB3' ' A' ' 27' ' ' LYS . . . -68.95 -38.57 79.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.014 0.435 . . . . 0.0 110.988 -177.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.9 tp -64.52 -46.97 80.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.829 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -66.27 -28.83 69.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.441 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 24' ' ' ALA . 53.1 tptt -57.42 -50.72 72.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.368 175.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.6 -36.58 92.62 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.281 -178.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.7 95.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.672 0.272 . . . . 0.0 110.836 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -69.75 -34.86 74.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.949 0.404 . . . . 0.0 110.374 178.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.1 tttm -60.39 -37.6 81.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.978 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 79.0 mtm -96.97 -14.97 21.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.505 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.57 52.82 2.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 0.0 113.11 176.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.583 ' HA ' ' HA ' ' A' ' 2' ' ' LYS . 51.2 m-80 -119.91 172.2 7.89 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.754 0.311 . . . . 0.0 110.668 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.609 ' HG ' ' HB3' ' A' ' 2' ' ' LYS . 90.3 mt -112.71 115.15 28.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.922 178.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.0 tt -127.11 139.38 52.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.261 0.553 . . . . 0.0 110.994 -175.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -115.43 102.13 9.54 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.786 175.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 16.4 t -99.82 124.22 53.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.498 -178.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.787 ' HG3' ' H ' ' A' ' 49' ' ' GLU . 26.8 tt0 -95.56 141.8 28.64 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.215 175.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.468 ' HB ' ' HB3' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -96.81 98.42 10.12 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 177.683 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.688 ' HB3' ' HB2' ' A' ' 10' ' ' ALA . 3.4 tt0 -95.11 90.02 5.76 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 177.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.31 -70.38 1.0 Allowed Glycine 0 C--N 1.33 0.228 0 CA-C-N 114.72 -1.127 . . . . 0.0 113.359 -167.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -129.29 69.11 1.41 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.1 m 62.97 17.98 10.51 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.785 0.802 . . . . 0.0 109.713 -174.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.481 ' O ' ' HA ' ' A' ' 41' ' ' GLN . . . -126.09 154.53 18.9 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.255 -178.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.659 HD11 ' HB2' ' A' ' 70' ' ' ARG . 22.5 mm -92.16 140.57 15.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -170.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.468 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 19.1 tt0 -117.47 -62.06 1.62 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.04 0.447 . . . . 0.0 110.475 172.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.607 ' HB3' ' HA ' ' A' ' 39' ' ' GLU . 7.4 t30 -74.98 -49.72 19.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.418 -175.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.787 ' H ' ' HG3' ' A' ' 39' ' ' GLU . 38.1 tt0 71.74 123.12 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 O-C-N 124.07 0.856 . . . . 0.0 111.772 -178.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.464 HD13 ' HB ' ' A' ' 6' ' ' ILE . 81.3 mt -95.98 116.4 28.88 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.45 174.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.487 ' O ' HG23 ' A' ' 55' ' ' VAL . 82.3 p -77.27 171.79 14.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.93 -175.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.495 ' OE2' ' HG2' ' A' ' 53' ' ' LYS . 0.9 OUTLIER -56.92 -45.17 82.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 -179.158 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.495 ' HG2' ' OE2' ' A' ' 52' ' ' GLU . 32.1 mmtm -53.06 -53.56 48.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.351 175.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -53.2 -48.0 68.44 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 -178.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 51' ' ' THR . 89.0 t -59.81 -44.56 94.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.015 -177.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -83.35 -14.6 52.5 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.645 0.259 . . . . 0.0 111.648 -175.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 53' ' ' LYS . 88.4 mt -84.24 -47.41 17.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 173.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.533 ' HA3' HG23 ' A' ' 6' ' ' ILE . . . -59.79 131.96 50.93 Favored Glycine 0 C--N 1.332 0.329 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.451 178.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -90.1 -56.16 3.33 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.776 0.322 . . . . 0.0 110.278 -176.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.535 ' HA ' HG13 ' A' ' 79' ' ' VAL . 22.1 m -101.57 144.33 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.736 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.59 HG22 HD11 ' A' ' 6' ' ' ILE . 39.5 t -109.57 125.37 66.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.954 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.3 mt -116.71 119.72 62.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.866 0.365 . . . . 0.0 110.38 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -106.74 110.04 22.11 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.983 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.682 ' HB2' ' HG3' ' A' ' 88' ' ' PRO . . . -106.6 91.1 3.54 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 172.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.587 HG12 ' HB3' ' A' ' 10' ' ' ALA . 18.4 m -135.1 155.39 37.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -168.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 1.017 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 38.1 t70 -112.6 14.64 20.15 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.399 -1.273 . . . . 0.0 108.762 175.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.609 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 15.0 t -171.9 -165.04 0.34 Allowed 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.573 -178.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -73.87 177.34 5.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 111.283 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.479 ' CG1' HG11 ' A' ' 65' ' ' VAL . 28.6 m -134.9 154.23 36.17 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 CA-C-O 121.25 0.548 . . . . 0.0 111.163 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.659 ' HB2' HD11 ' A' ' 46' ' ' ILE . 19.2 mmt180 -90.22 -21.41 22.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.789 176.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.603 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 24.8 m-80 -82.75 -8.61 59.58 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -174.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.453 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 29.0 tptp -59.82 -24.55 64.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.913 0.387 . . . . 0.0 110.391 -177.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -55.12 -42.28 72.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.799 178.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' A' ' 71' ' ' ASN . 9.5 ptp180 -92.32 -16.92 25.41 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -169.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.802 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 17.7 m-85 -92.67 46.46 1.24 Allowed 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.223 -0.298 . . . . 0.0 110.844 178.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.402 ' CG ' ' H ' ' A' ' 77' ' ' GLY . 3.1 p-10 -61.07 -80.77 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.928 -177.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.402 ' H ' ' CG ' ' A' ' 76' ' ' ASP . . . -86.26 47.98 3.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.095 -0.574 . . . . 0.0 111.759 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.802 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 28.2 mtpp -126.93 159.54 33.69 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -178.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.535 HG13 ' HA ' ' A' ' 60' ' ' VAL . 4.0 p -82.45 117.01 27.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.285 0.564 . . . . 0.0 110.656 -176.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.505 ' HA ' ' HB ' ' A' ' 61' ' ' VAL . 90.4 t -111.52 119.13 59.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.293 -176.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.641 HD23 HD11 ' A' ' 102' ' ' LEU . 3.2 tm? -109.6 107.87 18.1 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 174.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -102.9 135.62 44.24 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.081 -176.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 18.6 m -139.92 158.77 66.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.666 177.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.443 ' HG2' ' HB2' ' A' ' 87' ' ' ALA . 19.4 Cg_endo -60.37 149.28 86.85 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 121.898 1.732 . . . . 0.0 110.637 171.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.7 p -56.22 -30.96 31.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -174.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.491 ' HA ' HD12 ' A' ' 89' ' ' ILE . 32.3 t -75.5 -20.14 58.94 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.443 ' HB2' ' HG2' ' A' ' 84' ' ' PRO . . . -64.58 -54.58 35.73 Favored Pre-proline 0 CA--C 1.538 0.483 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -171.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.682 ' HG3' ' HB2' ' A' ' 64' ' ' ALA . 64.6 Cg_endo -70.72 -4.25 14.3 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 122.094 1.863 . . . . 0.0 112.712 -175.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.654 HG12 ' HA ' ' A' ' 21' ' ' ALA . 60.1 mt -79.22 -38.36 20.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.42 0.629 . . . . 0.0 109.65 176.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -95.94 -48.98 5.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.089 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.64 ' HB3' ' HB3' ' A' ' 94' ' ' LYS . 53.9 m-20 -105.19 41.96 1.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.45 -173.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.22 -49.48 63.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.592 0.234 . . . . 0.0 111.55 -176.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -59.09 -43.23 91.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.166 0.508 . . . . 0.0 110.195 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.64 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 62.2 tttm -71.1 -38.37 72.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.642 -172.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 91' ' ' ASP . 99.8 t -64.08 -44.57 97.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.505 177.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 76.2 mt -64.22 -44.67 97.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.643 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -62.75 -41.41 99.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.276 178.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.482 ' O ' ' HG ' ' A' ' 102' ' ' LEU . . . -59.87 -42.37 93.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.226 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.53 93.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.814 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 80.5 mt -69.72 -35.24 74.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.635 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.19 -18.57 64.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.668 -179.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.641 HD11 HD23 ' A' ' 81' ' ' LEU . 80.3 mt -76.78 -32.58 57.78 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.354 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 104' ' ' ASP . 28.7 pt -105.56 -42.05 6.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -176.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.459 ' N ' HG13 ' A' ' 103' ' ' ILE . 22.9 t70 . . . . . 0 C--N 1.321 -0.65 0 CA-C-O 120.79 0.329 . . . . 0.0 110.409 -175.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 94.2 mttt . . . . . 0 N--CA 1.464 0.272 0 CA-C-O 120.868 0.366 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.406 ' NH1' ' HG3' ' A' ' 59' ' ' GLU . 4.3 tpt85 -63.62 128.63 36.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.476 -174.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp -82.46 120.31 25.3 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.876 -177.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 75.4 mt -139.07 134.79 41.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.879 0.371 . . . . 0.0 111.506 -176.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.702 HD11 HG22 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -115.89 135.83 54.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 169.864 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -135.66 130.76 34.82 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 122.333 -0.23 . . . . 0.0 110.454 -176.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.2 t -107.95 113.3 43.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.207 0.527 . . . . 0.0 110.774 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.427 HG22 ' HB3' ' A' ' 64' ' ' ALA . 22.6 p -102.38 118.16 36.28 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.564 175.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.758 ' HB3' HG12 ' A' ' 65' ' ' VAL . . . -139.3 127.22 22.2 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.883 0.373 . . . . 0.0 111.311 -175.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.55 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 41.5 t -158.28 130.79 7.09 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.19 -36.96 34.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.06 0.457 . . . . 0.0 110.494 -178.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.4 p -96.46 125.11 40.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.169 -177.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.39 74.21 0.92 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.192 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.9 t -56.91 -34.85 45.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.912 0.386 . . . . 0.0 111.209 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.76 -29.02 69.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.69 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -73.52 -41.25 63.29 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.55 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 5.9 m -57.57 -50.46 73.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.484 176.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -68.66 -32.27 71.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.006 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.497 ' HA ' HE21 ' A' ' 23' ' ' GLN . 24.8 ttt -62.92 -45.77 90.94 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.106 -0.237 . . . . 0.0 110.591 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.95 -37.76 83.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.081 0.467 . . . . 0.0 110.155 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.642 ' HA ' HG11 ' A' ' 38' ' ' VAL . . . -64.68 -49.58 70.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.473 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.497 HE21 ' HA ' ' A' ' 20' ' ' MET . 28.4 pt20 -73.21 -29.28 62.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.136 -178.113 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.86 -46.01 72.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.929 0.395 . . . . 0.0 110.127 176.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.594 HD21 ' HB3' ' A' ' 88' ' ' PRO . 62.8 mt -61.55 -44.1 97.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.136 175.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -58.76 -37.9 77.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.148 0.499 . . . . 0.0 110.136 176.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -67.1 -52.59 39.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.22 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.7 -48.67 83.67 Favored Glycine 0 CA--C 1.518 0.275 0 CA-C-N 115.955 -0.566 . . . . 0.0 113.239 -176.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.86 -32.94 74.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.736 0.303 . . . . 0.0 111.338 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.409 ' HB2' ' NZ ' ' A' ' 30' ' ' LYS . 4.8 ttmp? -69.14 -37.62 78.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.005 0.431 . . . . 0.0 110.271 177.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -60.43 -41.48 94.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.406 177.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 84.6 mtp -74.85 -24.41 58.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.257 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.91 57.88 1.46 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.063 -0.589 . . . . 0.0 111.762 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -128.76 177.66 6.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.825 0.345 . . . . 0.0 111.213 -173.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 mp -114.36 107.84 16.11 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 176.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.464 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 15.3 tt -125.79 134.39 66.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.38 0.609 . . . . 0.0 111.3 -173.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -116.63 104.24 11.19 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.072 173.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.642 HG11 ' HA ' ' A' ' 22' ' ' ALA . 17.6 t -94.55 125.32 47.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.026 -178.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.67 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 29.8 tt0 -96.29 132.19 42.03 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.959 177.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.92 ' HB ' ' HB3' ' A' ' 47' ' ' GLU . 13.9 m -108.16 102.28 11.44 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.522 ' O ' ' HA ' ' A' ' 10' ' ' ALA . 4.5 tt0 -103.92 110.74 22.99 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -178.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.69 -111.75 3.57 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.369 -0.919 . . . . 0.0 112.734 -174.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.72 81.46 5.81 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.581 0.229 . . . . 0.0 110.603 -175.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.7 p 51.97 22.94 1.96 Allowed 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.624 0.77 . . . . 0.0 111.784 -177.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -139.34 150.44 21.31 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 178.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -110.49 130.35 63.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 C-N-CA 120.404 -0.519 . . . . 0.0 110.849 -173.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.92 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 8.3 tp10 -79.74 -49.17 12.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.382 0.611 . . . . 0.0 109.476 177.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -130.21 79.4 1.9 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.661 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -74.32 125.17 27.88 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.269 0.557 . . . . 0.0 111.249 -177.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.67 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 70.8 mt -76.07 149.54 37.46 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.359 -179.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.8 p -106.78 172.72 6.66 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.056 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -59.12 -42.34 90.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.825 0.345 . . . . 0.0 111.166 -174.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.19 -39.45 82.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.317 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -67.71 -42.95 81.18 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.745 0.783 . . . . 0.0 109.738 -177.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.121 HG21 ' HD2' ' A' ' 74' ' ' ARG . 72.5 t -62.36 -44.15 98.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 114.333 -1.303 . . . . 0.0 111.811 -177.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -78.66 -11.8 59.99 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.401 -175.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 68.9 mt -88.31 -42.69 15.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.109 173.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.504 ' HA3' HD12 ' A' ' 6' ' ' ILE . . . -59.2 130.63 50.97 Favored Glycine 0 CA--C 1.521 0.406 0 C-N-CA 121.25 -0.5 . . . . 0.0 113.214 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.406 ' HG3' ' NH1' ' A' ' 3' ' ' ARG . 9.2 mm-40 -75.65 -55.05 6.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.997 0.427 . . . . 0.0 110.356 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.2 m -117.93 152.34 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.654 -179.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.702 HG22 HD11 ' A' ' 6' ' ' ILE . 8.2 t -117.32 121.88 68.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.31 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.9 mp -101.34 131.85 48.3 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -115.13 117.45 30.58 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.98 0.419 . . . . 0.0 110.995 178.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.712 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -114.94 90.16 3.27 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 170.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.758 HG12 ' HB3' ' A' ' 10' ' ' ALA . 22.2 m -132.91 135.61 56.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -167.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.523 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 0.8 OUTLIER -101.15 -23.27 14.49 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 113.999 -1.455 . . . . 0.0 109.277 172.813 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.3 t -125.2 -169.98 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.095 -177.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.444 ' HE2' ' HB3' ' A' ' 68' ' ' LYS . 28.3 ttpt -86.73 148.9 25.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.386 -178.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 72' ' ' LYS . 22.3 m -120.6 143.04 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.861 0.362 . . . . 0.0 110.164 176.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -76.77 -32.81 57.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.007 0.432 . . . . 0.0 111.177 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -82.35 -7.27 59.63 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -169.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.486 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 82.9 tttt -60.02 -23.15 63.45 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 177.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -41.02 -52.42 3.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.839 175.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 1.121 ' HD2' HG21 ' A' ' 55' ' ' VAL . 11.8 ptp180 -83.22 -32.63 26.41 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -178.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.486 ' HD2' ' HA ' ' A' ' 72' ' ' LYS . 24.6 m-85 -67.93 -8.47 37.12 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.82 0.343 . . . . 0.0 111.123 177.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.96 -42.57 85.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.761 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -96.4 41.13 2.44 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.825 -0.703 . . . . 0.0 111.928 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -140.11 176.43 8.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.726 0.298 . . . . 0.0 110.206 -178.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.491 HG11 HG23 ' A' ' 103' ' ' ILE . 59.3 t -92.67 118.9 39.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 178.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.616 HG12 ' HB ' ' A' ' 61' ' ' VAL . 2.8 m -127.09 161.21 34.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.304 0.574 . . . . 0.0 111.75 -174.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.636 HD23 HD11 ' A' ' 102' ' ' LEU . 3.3 tm? -133.94 108.51 8.45 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 174.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -107.62 124.68 50.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.036 -173.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.447 ' HB ' ' HD2' ' A' ' 84' ' ' PRO . 11.7 m -139.38 169.67 11.78 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.449 -178.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.447 ' HD2' ' HB ' ' A' ' 83' ' ' VAL . 33.4 Cg_exo -61.01 148.76 91.87 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.513 2.142 . . . . 0.0 111.244 173.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.712 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 11.8 p -61.53 -28.04 43.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -175.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.3 t -73.74 -24.27 59.86 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 120.756 0.312 . . . . 0.0 111.525 -178.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.609 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -63.51 -54.56 42.35 Favored Pre-proline 0 CA--C 1.539 0.54 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -173.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.677 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 15.7 Cg_exo -70.02 -1.29 8.44 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 122.253 1.968 . . . . 0.0 113.075 -176.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 38.2 mt -76.14 -45.0 36.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.854 0.359 . . . . 0.0 110.456 177.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -96.66 -26.86 15.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.534 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.542 ' O ' HG23 ' A' ' 95' ' ' VAL . 37.0 m-20 -121.78 40.76 3.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.482 -175.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.56 -49.39 65.03 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -176.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.2 mp0 -63.69 -37.8 88.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.826 0.346 . . . . 0.0 110.927 -178.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 38.3 ttpt -72.82 -34.63 66.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.406 -175.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 91' ' ' ASP . 84.8 t -64.66 -42.99 96.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.17 0.509 . . . . 0.0 109.994 176.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.509 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 94.9 mt -64.2 -48.18 86.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.663 177.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -60.63 -38.58 85.23 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.307 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.422 ' O ' ' HG ' ' A' ' 102' ' ' LEU . . . -63.57 -45.28 91.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.878 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.81 98.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.066 0.46 . . . . 0.0 111.032 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 91.6 mt -66.4 -35.78 81.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.182 -179.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.39 -21.37 64.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.536 -178.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.636 HD11 HD23 ' A' ' 81' ' ' LEU . 81.8 mt -65.92 -25.58 67.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.989 -178.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.491 HG23 HG11 ' A' ' 79' ' ' VAL . 29.5 pt -115.33 -32.68 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.684 179.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.1 t70 . . . . . 0 C--N 1.327 -0.402 0 CA-C-O 120.577 0.227 . . . . 0.0 110.966 -177.529 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 46.0 mttp . . . . . 0 CA--C 1.52 -0.201 0 CA-C-O 120.831 0.348 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -140.56 131.81 26.58 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 172.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.701 ' HB3' ' HA2' ' A' ' 58' ' ' GLY . 43.3 mmtm -83.01 122.68 28.62 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 173.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 57.3 mt -129.55 114.18 30.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 110.477 -0.194 . . . . 0.0 110.477 -178.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.735 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -96.18 119.45 44.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.421 0.629 . . . . 0.0 109.503 174.718 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -127.18 130.13 49.15 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.786 -174.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.42 ' HB ' ' CD1' ' A' ' 63' ' ' PHE . 58.1 t -109.45 126.28 66.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.042 0.448 . . . . 0.0 110.536 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.569 HG22 ' HB3' ' A' ' 64' ' ' ALA . 18.8 p -115.51 122.77 46.73 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.835 177.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.444 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -145.39 97.51 3.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.739 0.304 . . . . 0.0 111.534 -179.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.937 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 41.8 t -108.8 125.93 52.49 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 176.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.75 -31.43 18.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.064 0.459 . . . . 0.0 110.154 178.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.2 m -62.11 -60.02 4.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.062 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.31 117.05 1.54 Allowed Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.474 -0.869 . . . . 0.0 112.329 -177.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.6 m -64.76 -18.92 24.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.064 0.459 . . . . 0.0 111.051 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.57 -31.56 72.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.582 175.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -72.21 -41.9 66.38 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.437 HG21 ' O ' ' A' ' 41' ' ' GLN . 20.3 m -58.43 -48.45 80.66 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.512 178.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -72.06 -41.9 66.89 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.958 -175.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 18.9 tpt -63.85 -43.1 97.16 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.15 -48.09 81.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.783 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.24 -34.61 76.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.083 -176.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -80.53 -42.01 23.17 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.151 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.46 -40.8 89.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.173 0.511 . . . . 0.0 110.339 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.2 tp -66.22 -37.26 85.13 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.446 177.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -63.99 -45.37 89.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.967 177.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -63.42 -39.0 93.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.068 176.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.76 -43.3 98.0 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.024 174.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.02 -41.12 97.54 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -59.13 -38.21 79.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.993 175.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -58.1 -42.85 86.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.683 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.649 ' HB2' ' ND2' ' A' ' 34' ' ' ASN . 90.4 mmm -95.36 3.67 54.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.982 -176.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.16 33.76 56.36 Favored Glycine 0 C--N 1.333 0.388 0 CA-C-N 116.014 -0.539 . . . . 0.0 113.431 174.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.649 ' ND2' ' HB2' ' A' ' 32' ' ' MET . 34.0 m-80 -97.03 170.76 8.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.11 0.481 . . . . 0.0 110.757 -178.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 mp -116.16 105.71 12.89 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 176.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.9 tt -103.27 140.51 21.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.487 0.66 . . . . 0.0 111.431 -171.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.808 ' HG3' HD22 ' A' ' 50' ' ' LEU . 9.5 tppt? -116.39 98.76 6.75 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 175.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 7.3 p -101.85 135.45 38.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.337 0.589 . . . . 0.0 111.691 -173.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.774 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 33.3 tt0 -109.38 125.65 52.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.655 176.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.564 ' OG1' ' HB3' ' A' ' 47' ' ' GLU . 0.9 OUTLIER -108.07 105.29 14.98 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.391 -178.599 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.466 ' HG2' HG12 ' A' ' 46' ' ' ILE . 31.7 mt-30 -104.61 -156.53 0.57 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 175.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 151.06 -88.9 0.13 Allowed Glycine 0 C--N 1.314 -0.681 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.464 173.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.45 83.43 2.45 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.557 0.217 . . . . 0.0 110.786 -178.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.0 m 73.48 -39.16 0.43 Allowed 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 176.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.01 157.43 15.58 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.8 -170.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.466 HG12 ' HG2' ' A' ' 41' ' ' GLN . 60.9 mt -118.37 131.24 71.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.564 ' HB3' ' OG1' ' A' ' 40' ' ' THR . 36.2 tt0 -80.99 -40.17 24.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.94 0.4 . . . . 0.0 111.242 -176.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.56 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 6.0 t30 -129.01 83.98 2.19 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 -178.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -69.08 119.8 13.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.739 -176.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.808 HD22 ' HG3' ' A' ' 37' ' ' LYS . 33.6 mt -82.05 118.2 22.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.965 177.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.477 ' O ' HG23 ' A' ' 55' ' ' VAL . 67.1 p -72.74 167.38 20.96 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -60.57 -26.64 67.09 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.539 ' O ' HG13 ' A' ' 57' ' ' ILE . 32.1 ttpt -67.26 -55.52 13.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.192 176.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.444 ' HB3' ' HG2' ' A' ' 37' ' ' LYS . 44.1 m-20 -55.81 -40.98 73.51 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.28 0.562 . . . . 0.0 110.662 -177.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.787 HG21 ' HG3' ' A' ' 74' ' ' ARG . 58.6 t -68.55 -34.93 68.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.317 -177.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -73.67 -26.71 60.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.699 0.285 . . . . 0.0 110.742 177.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.539 HG13 ' O ' ' A' ' 53' ' ' LYS . 76.3 mt -68.67 -47.78 74.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.137 176.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.701 ' HA2' ' HB3' ' A' ' 4' ' ' LYS . . . -63.37 138.26 43.17 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.985 -0.552 . . . . 0.0 113.321 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -80.56 -69.75 0.58 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.047 0.451 . . . . 0.0 109.932 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.0 m -97.84 148.61 5.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.087 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.625 ' HB ' HG12 ' A' ' 80' ' ' VAL . 31.1 t -110.82 136.99 45.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.994 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.5 mt -124.52 127.57 73.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 176.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.724 ' HB2' ' HG2' ' A' ' 82' ' ' GLU . 41.4 m-85 -112.14 107.67 16.67 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.914 179.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.685 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -107.92 90.41 3.29 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 172.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.0 m -132.47 145.95 33.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.712 0.768 . . . . 0.0 112.886 -170.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.937 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 19.5 t70 -108.19 -11.43 15.25 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.308 -1.315 . . . . 0.0 109.214 176.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.1 t -139.78 -170.75 3.0 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.416 178.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -74.3 146.78 42.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.221 0.534 . . . . 0.0 111.465 -176.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.3 p -109.53 118.26 56.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.094 174.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.497 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 12.9 ttm180 -74.52 -45.3 46.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.834 -175.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.409 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 10.9 m-20 -66.65 -6.18 14.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.479 -176.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.499 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 31.6 ttmt -50.09 -22.8 1.78 Allowed 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.212 0.32 . . . . 0.0 111.075 177.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 29.8 mt-10 -41.02 -47.41 3.06 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.756 176.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.787 ' HG3' HG21 ' A' ' 55' ' ' VAL . 8.2 ptp180 -85.57 -21.98 28.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.392 -175.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.809 ' HA ' ' HG3' ' A' ' 78' ' ' LYS . 55.9 m-85 -88.67 16.91 6.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.982 0.42 . . . . 0.0 110.309 176.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -82.26 -49.06 10.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.536 -173.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.15 46.08 3.22 Favored Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 173.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.809 ' HG3' ' HA ' ' A' ' 75' ' ' PHE . 12.0 mmmt -132.56 166.58 21.76 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 -174.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.8 p -96.4 108.68 21.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 176.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.625 HG12 ' HB ' ' A' ' 61' ' ' VAL . 2.2 m -116.81 153.24 18.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.184 0.516 . . . . 0.0 111.746 -172.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.526 HD23 HD11 ' A' ' 102' ' ' LEU . 1.9 tm? -129.59 115.87 18.04 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 173.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.724 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 42.3 mt-10 -104.55 134.73 47.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.257 0.551 . . . . 0.0 111.722 -173.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.442 ' HB ' ' HD2' ' A' ' 84' ' ' PRO . 17.4 m -142.9 164.64 30.95 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.511 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.546 ' HG2' ' HB2' ' A' ' 87' ' ' ALA . 23.0 Cg_endo -61.63 150.44 85.54 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.0 1.8 . . . . 0.0 110.92 171.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.685 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 8.8 p -64.63 -28.26 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.22 0.533 . . . . 0.0 110.894 -175.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.44 ' HA ' HD12 ' A' ' 89' ' ' ILE . 15.4 m -74.35 -18.89 60.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.762 -0.653 . . . . 0.0 112.486 -178.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.638 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -67.49 -57.72 9.84 Favored Pre-proline 0 CA--C 1.539 0.544 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -174.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.638 ' HD3' ' HB3' ' A' ' 87' ' ' ALA . 14.4 Cg_exo -68.54 0.48 4.72 Favored 'Trans proline' 0 C--N 1.359 1.119 0 C-N-CA 122.369 2.046 . . . . 0.0 113.043 -174.162 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 86' ' ' SER . 96.0 mt -72.61 -36.98 55.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 172.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -97.74 -64.9 1.0 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.886 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.834 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 11.9 p-10 -105.72 42.27 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.142 0.496 . . . . 0.0 111.654 -168.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' A' ' 88' ' ' PRO . . . -53.11 -35.39 59.61 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.859 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -59.15 -41.54 88.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.451 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.834 ' HD3' ' HB2' ' A' ' 91' ' ' ASP . 10.7 mtpt -66.27 -46.17 77.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.188 178.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 45.1 t -58.37 -40.92 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.856 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.591 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 82.2 mt -63.86 -50.5 77.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.706 179.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -63.35 -37.27 86.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.889 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.63 86.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.817 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.07 -42.08 66.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.605 177.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 79.3 mt -63.19 -38.85 92.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.641 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.11 -17.51 57.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.975 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.526 HD11 HD23 ' A' ' 81' ' ' LEU . 60.4 mt -73.85 -41.16 62.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.666 0.27 . . . . 0.0 111.321 -178.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 33.4 pt -98.09 -19.95 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.936 0.398 . . . . 0.0 111.362 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.229 -179.113 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 -65.34 119.32 10.74 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.392 -175.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.485 ' HE2' HD22 ' A' ' 35' ' ' LEU . 27.7 mmtp -79.16 109.83 13.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.436 177.326 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 62.9 mt -115.68 127.73 73.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.734 -177.041 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.729 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -104.48 129.8 56.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 174.474 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.455 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -135.02 141.1 46.11 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.842 0.353 . . . . 0.0 110.813 -175.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.549 ' HB ' ' CE1' ' A' ' 63' ' ' PHE . 64.1 t -128.88 132.11 67.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 177.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.532 HG21 ' HB2' ' A' ' 22' ' ' ALA . 4.0 t -124.91 135.38 52.81 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.744 177.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.613 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . . . -164.22 99.94 0.84 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.132 -173.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.473 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 42.0 t -94.52 -18.69 21.21 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 174.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.677 ' HB2' HG21 ' A' ' 67' ' ' THR . . . 64.2 -75.92 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.746 0.819 . . . . 0.0 112.02 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 m -62.43 -53.61 52.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.21 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.65 69.15 1.73 Allowed Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.789 -0.72 . . . . 0.0 111.357 175.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.409 HG22 ' HE2' ' A' ' 19' ' ' TYR . 12.8 p -58.66 -28.67 37.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 122.373 0.269 . . . . 0.0 111.624 -176.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.93 -30.7 71.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.066 0.46 . . . . 0.0 111.004 178.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -71.23 -32.59 68.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.815 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.8 m -58.38 -44.28 88.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.688 177.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.461 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 81.4 m-85 -71.84 -40.59 68.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.452 -177.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.3 tpt -61.78 -44.83 96.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.839 0.352 . . . . 0.0 110.755 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.96 -46.94 85.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.707 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.532 ' HB2' HG21 ' A' ' 9' ' ' THR . . . -57.79 -50.76 72.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.908 -178.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 19' ' ' TYR . 4.2 pt20 -66.91 -41.97 86.22 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.734 -175.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.32 -46.76 66.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.904 0.383 . . . . 0.0 110.79 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.0 tp -57.8 -47.02 83.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.092 177.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -68.38 -30.34 69.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.944 -177.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -64.4 -48.44 75.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.507 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.31 -29.37 71.91 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 121.081 -0.581 . . . . 0.0 112.481 -178.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.23 -44.49 91.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.663 0.268 . . . . 0.0 111.139 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -69.57 -31.31 69.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.414 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -58.62 -44.44 89.99 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.509 178.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.1 mmt -78.04 -5.17 50.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.246 -177.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.55 47.73 7.16 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.887 176.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -127.84 173.8 9.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.819 0.343 . . . . 0.0 110.61 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.485 HD22 ' HE2' ' A' ' 4' ' ' LYS . 9.7 mp -111.64 124.39 52.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.726 177.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.4 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 16.8 tt -127.23 140.3 49.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.114 0.483 . . . . 0.0 110.667 -176.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -116.61 103.43 10.38 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.448 176.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.455 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 19.2 t -101.82 122.05 53.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.904 0.383 . . . . 0.0 110.982 -176.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.682 ' OE1' ' HA ' ' A' ' 49' ' ' GLU . 29.4 tt0 -94.83 124.45 38.87 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.985 178.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.0 p -100.32 107.51 19.32 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.172 0.511 . . . . 0.0 110.412 176.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.735 ' HG3' HG12 ' A' ' 46' ' ' ILE . 6.8 tt0 -109.81 106.13 15.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.409 179.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.574 ' O ' ' HA ' ' A' ' 12' ' ' ALA . . . -87.31 -105.04 0.86 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.214 -176.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' A' ' 45' ' ' GLY . . . -118.94 89.13 3.07 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.1 m 71.12 -10.45 0.77 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.857 -176.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' A' ' 43' ' ' ALA . . . -107.87 110.31 3.13 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.85 -177.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.735 HG12 ' HG3' ' A' ' 41' ' ' GLN . 16.0 mt -99.92 131.11 47.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -104.21 21.46 16.5 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.944 -173.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -161.15 -68.28 0.06 Allowed 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 121.183 -0.207 . . . . 0.0 110.691 -179.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.682 ' HA ' ' OE1' ' A' ' 39' ' ' GLU . 31.4 tt0 61.35 97.84 0.03 OUTLIER 'General case' 0 C--O 1.237 0.422 0 O-C-N 123.9 0.75 . . . . 0.0 110.423 -174.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.47 HD13 ' HB ' ' A' ' 6' ' ' ILE . 80.4 mt -61.37 130.46 46.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.717 -177.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.453 ' O ' HG23 ' A' ' 55' ' ' VAL . 30.7 p -74.66 159.79 31.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.186 -178.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.99 -33.5 70.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.913 0.387 . . . . 0.0 110.016 176.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.512 ' O ' HG13 ' A' ' 57' ' ' ILE . 16.9 tptp -65.96 -52.29 51.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.163 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -57.39 -40.35 78.0 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.048 0.451 . . . . 0.0 110.869 178.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.708 HG11 ' HB3' ' A' ' 74' ' ' ARG . 41.1 t -61.57 -35.04 64.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.335 -0.848 . . . . 0.0 112.043 -179.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -82.19 -31.03 30.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.647 0.26 . . . . 0.0 111.154 178.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 53' ' ' LYS . 82.3 mt -65.55 -48.13 83.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.931 0.396 . . . . 0.0 109.972 176.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.83 143.47 43.62 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.692 174.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -98.33 -66.99 0.87 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.806 0.336 . . . . 0.0 110.769 -177.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.489 HG21 ' HB1' ' A' ' 99' ' ' ALA . 14.6 p -94.72 144.1 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -178.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.717 ' HB ' ' HB ' ' A' ' 80' ' ' VAL . 13.2 t -109.9 142.42 22.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.699 -176.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.7 mt -119.43 117.52 54.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.362 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.549 ' CE1' ' HB ' ' A' ' 8' ' ' VAL . 1.5 m-85 -106.06 119.33 38.93 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.007 0.432 . . . . 0.0 110.783 177.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.49 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -122.72 88.84 3.0 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 171.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.522 HG12 ' N ' ' A' ' 10' ' ' ALA . 28.9 m -141.42 174.88 6.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.238 0.542 . . . . 0.0 111.795 -168.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.473 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 18.6 t70 -135.73 -17.54 1.69 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.716 173.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.677 HG21 ' HB2' ' A' ' 12' ' ' ALA . 15.1 t -121.77 -166.33 1.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.007 -175.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -70.74 152.36 43.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.969 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.036 ' HB ' ' HG3' ' A' ' 72' ' ' LYS . 73.1 t -129.21 135.22 62.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.315 178.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.716 ' HD3' HD11 ' A' ' 46' ' ' ILE . 28.0 mtp-105 -88.7 -14.6 36.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -176.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.485 ' HA ' ' HE ' ' A' ' 74' ' ' ARG . 0.5 OUTLIER -86.05 -7.86 58.33 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.185 174.455 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 1.036 ' HG3' ' HB ' ' A' ' 69' ' ' VAL . 50.1 mtpt -55.61 -41.65 73.77 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -173.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -59.1 -33.12 70.46 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.768 0.318 . . . . 0.0 111.436 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.708 ' HB3' HG11 ' A' ' 55' ' ' VAL . 9.2 mtm180 -69.44 -35.67 75.9 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.955 178.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.654 ' CE1' HG13 ' A' ' 6' ' ' ILE . 11.8 m-85 -99.38 11.24 39.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.706 0.288 . . . . 0.0 110.927 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -70.62 -39.34 73.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.327 -170.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -101.09 26.9 22.97 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.718 177.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.426 ' HG3' ' HA ' ' A' ' 75' ' ' PHE . 1.6 mtmp? -128.65 -177.39 4.17 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -176.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.9 t -94.94 122.08 46.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.734 0.302 . . . . 0.0 110.523 -177.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.717 ' HB ' ' HB ' ' A' ' 61' ' ' VAL . 2.6 p -144.25 138.83 24.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.015 0.436 . . . . 0.0 111.152 -177.07 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.424 HD13 HD11 ' A' ' 102' ' ' LEU . 18.3 tp -100.17 123.32 44.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.449 173.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.57 109.76 21.77 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.5 m -119.99 160.77 41.56 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.654 176.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -56.73 148.31 66.4 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.324 2.016 . . . . 0.0 111.175 173.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.49 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 7.5 p -63.15 -24.91 37.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-O 120.849 0.357 . . . . 0.0 111.129 -175.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.7 m -74.93 -19.57 60.07 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 177.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.06 -51.28 37.37 Favored Pre-proline 0 CA--C 1.543 0.682 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -171.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -73.97 13.0 0.87 Allowed 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 121.973 1.782 . . . . 0.0 113.534 -174.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 94.3 mt -82.95 -58.46 3.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.633 0.254 . . . . 0.0 111.09 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -96.35 -13.31 23.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.822 0.344 . . . . 0.0 111.164 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.506 ' O ' HG23 ' A' ' 95' ' ' VAL . 23.9 m-20 -125.59 37.74 4.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.793 0.33 . . . . 0.0 111.067 -176.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.63 -46.48 77.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.339 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -64.76 -33.4 75.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.779 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.41 ' HG3' ' OD1' ' A' ' 91' ' ' ASP . 32.2 mmtp -66.61 -43.06 85.81 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 91' ' ' ASP . 62.4 t -60.9 -44.11 97.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.644 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.461 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 84.2 mt -62.36 -46.71 95.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.783 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -65.67 -38.95 90.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.237 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.97 -36.59 78.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.721 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.489 ' HB1' HG21 ' A' ' 60' ' ' VAL . . . -62.24 -37.51 85.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.428 177.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 84.2 mt -71.05 -31.44 67.88 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.468 178.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.4 -31.02 70.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.751 0.31 . . . . 0.0 110.888 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.424 HD11 HD13 ' A' ' 81' ' ' LEU . 90.7 mt -64.17 -37.27 86.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.746 178.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 26.7 pt -93.04 -1.19 10.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.071 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 38.8 t70 . . . . . 0 C--O 1.231 0.106 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.889 -171.298 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.8 mtmm . . . . . 0 C--O 1.235 0.295 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.864 ' HE ' ' HG3' ' A' ' 59' ' ' GLU . 4.8 tpt180 -151.56 148.11 27.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.799 172.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.435 ' CB ' ' HA2' ' A' ' 58' ' ' GLY . 73.3 mmtt -84.13 124.56 31.27 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 177.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.538 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 67.4 mt -132.41 131.66 60.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.904 0.383 . . . . 0.0 110.876 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.664 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -112.32 136.5 48.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 173.817 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.537 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -139.23 137.88 36.34 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.884 0.373 . . . . 0.0 111.172 -175.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.453 HG11 HG21 ' A' ' 69' ' ' VAL . 88.5 t -111.79 114.32 46.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.944 176.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.4 p -102.19 112.5 25.2 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.704 177.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.776 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . . . -129.05 145.28 51.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.803 -175.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.915 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 49.8 t -162.05 131.9 4.66 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 174.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.34 -16.84 12.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.942 0.401 . . . . 0.0 111.145 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.9 p -86.82 -52.11 5.68 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.03 0.443 . . . . 0.0 111.007 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -113.01 96.1 0.8 Allowed Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 177.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.475 HG12 ' HE2' ' A' ' 19' ' ' TYR . 31.8 t -56.53 -41.56 73.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.681 0.277 . . . . 0.0 111.735 -174.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.65 -27.3 67.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.519 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.6 m170 -67.28 -36.39 81.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.249 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.54 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 4.3 m -60.73 -46.77 89.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.969 -178.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.475 ' HE2' HG12 ' A' ' 15' ' ' VAL . 55.6 m-85 -70.74 -37.9 73.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.113 0.482 . . . . 0.0 110.455 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 51.0 ttm -66.91 -45.34 78.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.395 -176.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.442 ' HA ' HG12 ' A' ' 89' ' ' ILE . . . -59.22 -43.98 92.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.328 -177.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.499 ' O ' ' HG2' ' A' ' 26' ' ' LYS . . . -64.59 -51.32 63.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.811 -178.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -66.36 -35.24 79.85 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.232 -176.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.99 -41.27 71.18 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.186 0.517 . . . . 0.0 110.201 178.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.643 HD13 ' HB3' ' A' ' 88' ' ' PRO . 55.2 tp -62.47 -38.87 91.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.599 176.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 22' ' ' ALA . 12.7 mmmm -55.76 -43.12 76.38 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.189 177.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -61.23 -48.53 81.05 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.278 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.54 -40.68 98.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.433 -179.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.47 -50.27 63.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.06 0.457 . . . . 0.0 111.33 -178.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -67.96 -26.09 65.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.422 -177.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.466 ' HD2' ' OE1' ' A' ' 93' ' ' GLU . 35.0 ttmt -68.57 -35.6 77.61 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.977 0.418 . . . . 0.0 110.354 176.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 24.8 mmt -84.61 -4.89 59.22 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.216 -178.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.17 19.85 56.4 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.112 -0.566 . . . . 0.0 113.802 172.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -108.11 170.31 8.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 117.17 0.485 . . . . 0.0 110.88 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -111.5 117.05 31.95 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.846 -177.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.538 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 17.4 tt -120.88 142.23 37.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.325 0.583 . . . . 0.0 111.146 -174.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -122.17 107.8 12.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.155 177.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.537 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 23.2 m -100.76 133.35 44.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -173.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.895 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 24.6 tt0 -95.55 133.45 39.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.008 174.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 1.036 ' HB ' ' HB3' ' A' ' 47' ' ' GLU . 6.4 m -97.38 98.08 9.66 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 176.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.776 ' HB3' ' HB2' ' A' ' 10' ' ' ALA . 7.4 tp-100 -106.23 127.2 53.06 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.761 -172.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -122.14 13.79 8.99 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.51 -0.852 . . . . 0.0 111.804 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 70.84 -52.36 0.67 Allowed 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.587 0.755 . . . . 0.0 111.269 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 m -69.22 -24.3 64.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.632 177.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.27 152.04 20.82 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.369 -178.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.735 HG12 HE22 ' A' ' 41' ' ' GLN . 20.5 mt -103.95 122.26 56.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 177.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 1.036 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 10.4 tp10 -85.02 -37.03 20.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.904 0.383 . . . . 0.0 110.256 -177.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -135.79 87.75 2.34 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.412 ' HG3' HD21 ' A' ' 71' ' ' ASN . 38.6 tt0 -67.11 121.72 16.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.397 -176.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.895 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 57.5 mt -82.43 107.92 15.46 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 173.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.544 ' O ' HG23 ' A' ' 55' ' ' VAL . 57.6 p -78.06 169.29 18.53 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.705 -176.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.499 ' H ' ' CD ' ' A' ' 52' ' ' GLU . 9.9 mp0 -52.6 -41.99 64.16 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 177.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.506 ' O ' HG12 ' A' ' 57' ' ' ILE . 87.1 tttt -52.97 -49.8 65.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.435 177.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -62.77 -44.63 95.67 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.228 0.537 . . . . 0.0 110.692 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.722 HG11 ' HG3' ' A' ' 74' ' ' ARG . 40.4 t -68.39 -34.65 67.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.726 -174.012 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.94 -25.77 64.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.203 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.506 HG12 ' O ' ' A' ' 53' ' ' LYS . 48.7 mm -78.89 -48.92 21.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.854 -177.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.435 ' HA2' ' CB ' ' A' ' 4' ' ' LYS . . . -67.19 142.79 41.85 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.033 -0.603 . . . . 0.0 113.446 -178.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.864 ' HG3' ' HE ' ' A' ' 3' ' ' ARG . 23.3 mm-40 -79.85 -70.55 0.51 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.106 0.479 . . . . 0.0 110.41 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.0 m -97.73 149.57 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.15 -176.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.69 HG11 ' HB3' ' A' ' 75' ' ' PHE . 31.6 t -110.45 118.65 57.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.347 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.7 mt -97.14 119.55 45.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.98 176.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.569 ' CZ ' ' HG3' ' A' ' 72' ' ' LYS . 20.0 m-85 -108.33 110.71 22.34 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.913 0.387 . . . . 0.0 111.143 177.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.591 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -116.73 90.78 3.41 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 170.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.604 HG12 ' HB3' ' A' ' 10' ' ' ALA . 27.5 m -130.53 137.2 56.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.732 0.777 . . . . 0.0 112.536 -169.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.915 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 6.6 t70 -96.74 -23.33 16.48 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.389 -1.278 . . . . 0.0 109.1 170.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.8 t -125.89 -170.96 2.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.065 -178.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -80.94 171.01 15.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.128 0.49 . . . . 0.0 111.378 -176.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.769 HG13 ' HB2' ' A' ' 72' ' ' LYS . 2.1 p -147.59 120.1 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.106 177.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.506 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 3.6 tmt_? -69.71 -39.92 76.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.73 -175.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.412 HD21 ' HG3' ' A' ' 49' ' ' GLU . 93.1 m-20 -68.36 -7.68 33.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.933 -175.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.769 ' HB2' HG13 ' A' ' 69' ' ' VAL . 19.2 ttpp -54.53 -23.7 17.62 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 122.545 0.338 . . . . 0.0 111.3 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 17.2 mt-10 -40.85 -53.0 2.97 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 123.88 0.737 . . . . 0.0 111.436 178.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.722 ' HG3' HG11 ' A' ' 55' ' ' VAL . 10.3 ptp180 -82.22 -34.34 28.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.79 -1.095 . . . . 0.0 111.895 -172.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.69 ' HB3' HG11 ' A' ' 61' ' ' VAL . 77.0 m-85 -70.54 -32.1 69.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.173 0.511 . . . . 0.0 110.767 -178.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.75 -26.28 67.66 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.341 -172.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -90.37 12.97 66.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.999 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -119.66 -164.58 1.08 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.1 t -82.88 115.67 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.0 t -114.18 137.47 47.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.0 0.428 . . . . 0.0 112.054 -171.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.589 HD23 HD11 ' A' ' 102' ' ' LEU . 3.1 tm? -132.13 113.44 13.33 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 172.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.548 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 48.4 mt-10 -105.15 135.63 46.15 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.823 0.344 . . . . 0.0 111.562 -175.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.458 ' HB ' ' HD2' ' A' ' 84' ' ' PRO . 15.4 m -141.01 164.03 38.56 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.602 177.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.51 ' HG2' ' HB2' ' A' ' 87' ' ' ALA . 27.6 Cg_endo -64.5 155.36 66.81 Favored 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 122.288 1.992 . . . . 0.0 111.119 172.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.591 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 12.2 p -65.6 -24.86 35.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.925 0.393 . . . . 0.0 111.117 -176.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.8 m -73.77 -22.45 59.84 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.611 178.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.579 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -63.5 -56.0 30.24 Favored Pre-proline 0 CA--C 1.535 0.374 0 N-CA-C 113.067 0.765 . . . . 0.0 113.067 -172.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.643 ' HB3' HD13 ' A' ' 25' ' ' LEU . 11.2 Cg_exo -72.01 7.27 1.76 Allowed 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 122.3 2.0 . . . . 0.0 113.318 -175.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.442 HG12 ' HA ' ' A' ' 21' ' ' ALA . 71.8 mt -87.79 -51.74 12.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 175.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 90' ' ' LYS . 53.1 mtpt -97.36 -30.53 12.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.829 179.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.498 ' O ' HG23 ' A' ' 95' ' ' VAL . 11.6 m-20 -121.34 34.33 5.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.876 -171.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 88' ' ' PRO . . . -53.38 -45.9 69.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.814 -177.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.466 ' OE1' ' HD2' ' A' ' 31' ' ' LYS . 36.2 mt-10 -67.27 -32.17 73.0 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.302 -176.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -70.67 -39.22 73.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.094 0.473 . . . . 0.0 109.973 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 91' ' ' ASP . 60.7 t -60.09 -42.26 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.263 176.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 92' ' ' ALA . 78.8 mt -61.01 -45.85 97.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.555 177.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -63.88 -33.38 75.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.173 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.97 -42.65 99.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.967 0.413 . . . . 0.0 110.28 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.65 -39.14 80.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.61 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 92.0 mt -64.11 -34.94 79.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.911 177.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.98 -23.38 67.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.411 -179.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.589 HD11 HD23 ' A' ' 81' ' ' LEU . 79.8 mt -77.88 -45.16 25.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.88 0.371 . . . . 0.0 110.948 -178.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.402 HG13 ' N ' ' A' ' 104' ' ' ASP . 27.6 pt -93.14 -39.63 11.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -175.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.402 ' N ' HG13 ' A' ' 103' ' ' ILE . 23.6 t70 . . . . . 0 C--N 1.323 -0.57 0 CA-C-O 120.588 0.232 . . . . 0.0 111.229 -172.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.5 ' HD3' ' O ' ' A' ' 33' ' ' GLY . 47.3 mmtm . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.033 0.444 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.55 ' HE ' ' HG3' ' A' ' 59' ' ' GLU . 3.6 tpt180 -87.58 138.37 31.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.415 -176.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -84.34 128.22 34.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.68 -179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.414 HG23 HG23 ' A' ' 60' ' ' VAL . 66.6 mt -139.37 137.68 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 121.151 -0.22 . . . . 0.0 110.621 -178.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.606 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -113.43 132.52 62.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 171.121 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.453 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -140.56 132.9 28.32 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.683 -176.115 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.7 t -110.16 114.83 48.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.016 0.436 . . . . 0.0 110.485 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.575 HG22 ' HB3' ' A' ' 64' ' ' ALA . 17.6 p -97.13 108.9 21.73 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.283 173.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.631 ' HA ' ' O ' ' A' ' 41' ' ' GLN . . . -127.25 103.03 7.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.861 0.362 . . . . 0.0 111.864 -173.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.658 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 42.8 t -124.56 131.27 53.49 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 176.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.24 -31.12 7.69 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.932 0.396 . . . . 0.0 110.745 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.0 m -71.72 -54.95 8.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.814 -178.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -114.32 93.94 0.66 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.942 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 m -61.8 -20.91 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -176.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.69 -27.47 64.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.069 0.461 . . . . 0.0 110.358 176.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -75.36 -34.73 61.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.62 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.446 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 2.6 m -55.68 -53.93 50.44 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.422 0.451 . . . . 0.0 111.23 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -75.68 -32.64 60.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.331 -175.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 51.2 ttm -70.54 -43.16 70.14 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.775 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.17 -44.72 95.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.694 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.462 ' O ' ' HG3' ' A' ' 26' ' ' LYS . . . -57.72 -49.14 77.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.329 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -69.83 -38.75 76.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.446 -177.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.468 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . . . -66.81 -39.96 87.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.19 0.519 . . . . 0.0 110.398 177.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.7 tp -62.99 -45.36 92.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.248 175.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 97.4 mttt -58.49 -42.45 87.6 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.568 175.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -61.63 -42.11 98.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.635 -177.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.443 ' HA3' ' HB1' ' A' ' 92' ' ' ALA . . . -72.69 -39.72 54.96 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.262 178.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.412 ' HA ' ' CD1' ' A' ' 96' ' ' ILE . . . -66.33 -41.98 88.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.902 0.382 . . . . 0.0 110.903 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.547 ' HA ' ' HE3' ' A' ' 30' ' ' LYS . 1.6 tpmt? -69.23 -29.11 66.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.28 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -61.55 -34.17 75.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.996 175.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.408 ' HB2' ' ND2' ' A' ' 34' ' ' ASN . 85.5 mmm -85.49 -6.03 59.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.547 178.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.5 ' O ' ' HD3' ' A' ' 2' ' ' LYS . . . 80.02 17.07 75.46 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.577 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.408 ' ND2' ' HB2' ' A' ' 32' ' ' MET . 87.6 m-20 -75.39 167.31 22.14 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.431 0.634 . . . . 0.0 111.514 -175.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 98.2 mt -117.0 92.74 3.94 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.528 173.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 15.8 tt -111.58 144.52 19.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.065 -171.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -116.57 103.37 10.33 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 35.4 t -93.85 117.53 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.07 -176.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.654 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 42.3 tt0 -94.52 148.99 21.69 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.09 -177.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.487 ' OG1' ' HB2' ' A' ' 47' ' ' GLU . 3.7 p -120.78 110.27 16.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.073 0.464 . . . . 0.0 111.597 -177.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.631 ' O ' ' HA ' ' A' ' 10' ' ' ALA . 41.8 tt0 -115.87 148.16 40.27 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 175.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -148.7 -75.1 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.356 -0.926 . . . . 0.0 111.949 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.63 79.18 1.33 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.616 0.246 . . . . 0.0 110.793 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.8 m 71.15 -37.57 0.4 Allowed 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 178.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.77 172.8 28.84 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.704 -171.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.4 HD13 ' HB2' ' A' ' 41' ' ' GLN . 35.0 mm -120.13 127.12 75.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -179.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.487 ' HB2' ' OG1' ' A' ' 40' ' ' THR . 48.8 mt-10 -85.58 -71.49 0.53 Allowed 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.276 179.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -81.66 71.07 8.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.467 0.651 . . . . 0.0 109.306 177.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -56.88 120.26 7.62 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.247 -1.342 . . . . 0.0 112.413 -176.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.654 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 79.6 mt -85.51 151.28 24.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.686 173.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 77.3 p -110.1 169.79 8.5 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 177.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.4 ' OE1' ' HD3' ' A' ' 74' ' ' ARG . 9.6 mm-40 -59.97 -30.39 69.08 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -177.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.557 ' O ' HG12 ' A' ' 57' ' ' ILE . 39.0 ttpt -58.43 -51.47 69.69 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 175.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -58.39 -46.7 85.85 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.152 0.501 . . . . 0.0 110.406 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.9 t -59.94 -38.17 75.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.521 -178.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -88.07 -10.94 48.6 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -177.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.557 HG12 ' O ' ' A' ' 53' ' ' LYS . 35.0 mm -89.99 -47.14 14.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 174.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.423 ' HA3' HG23 ' A' ' 6' ' ' ILE . . . -61.13 134.02 48.8 Favored Glycine 0 CA--C 1.519 0.312 0 CA-C-N 116.012 -0.54 . . . . 0.0 113.037 -179.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.55 ' HG3' ' HE ' ' A' ' 3' ' ' ARG . 6.4 mm-40 -73.8 -70.5 0.38 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.346 0.593 . . . . 0.0 110.54 -177.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.633 ' HA ' HG13 ' A' ' 79' ' ' VAL . 19.6 m -99.7 151.45 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.978 -174.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.542 HG22 HD11 ' A' ' 6' ' ' ILE . 32.4 t -110.4 116.31 52.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.622 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.9 mt -103.61 126.3 58.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.429 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.625 ' HB2' ' HG2' ' A' ' 82' ' ' GLU . 42.8 m-85 -112.77 102.86 10.87 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.821 0.343 . . . . 0.0 110.956 176.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.575 ' HB3' HG22 ' A' ' 9' ' ' THR . . . -100.76 91.63 4.71 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 172.153 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.628 HG12 ' HB3' ' A' ' 10' ' ' ALA . 23.9 m -128.25 154.8 39.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.882 0.848 . . . . 0.0 113.153 -168.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.658 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 0.9 OUTLIER -111.94 -24.29 10.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 113.963 -1.471 . . . . 0.0 108.848 173.9 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.6 t -128.22 -168.79 1.96 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.004 -0.998 . . . . 0.0 108.729 176.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -85.64 167.18 15.57 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.706 0.288 . . . . 0.0 110.32 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.438 ' CG2' ' HB2' ' A' ' 72' ' ' LYS . 15.5 m -123.99 157.04 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.32 178.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -94.6 -35.48 12.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.423 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.525 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 85.7 m-20 -76.58 -5.86 49.5 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 -171.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.484 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 41.3 ttmt -57.03 -24.88 56.94 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.288 0.566 . . . . 0.0 109.62 178.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -42.37 -51.62 4.84 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.788 -1.096 . . . . 0.0 112.095 174.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.525 ' HG2' ' O ' ' A' ' 71' ' ' ASN . 13.1 ptp180 -83.02 -26.9 30.77 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -177.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.573 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 29.0 m-85 -76.79 -8.61 57.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.513 0.197 . . . . 0.0 111.285 177.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.28 -40.86 95.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.867 -176.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -82.39 16.43 24.1 Favored Glycine 0 C--O 1.23 -0.152 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.156 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.573 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 26.1 mtpp -124.88 -173.67 2.85 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -178.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.633 HG13 ' HA ' ' A' ' 60' ' ' VAL . 3.9 p -90.64 127.46 43.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.816 0.341 . . . . 0.0 110.484 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.8 t -119.87 135.6 59.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.79 -171.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -133.53 117.02 16.64 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 173.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.625 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 45.9 mt-10 -107.43 138.7 43.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.1 0.476 . . . . 0.0 111.973 -176.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.523 ' HB ' ' HD2' ' A' ' 84' ' ' PRO . 17.3 m -141.86 165.46 27.83 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.49 175.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.766 ' HG2' ' HB2' ' A' ' 87' ' ' ALA . 28.3 Cg_endo -64.78 147.98 89.88 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 121.813 1.675 . . . . 0.0 111.024 172.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.418 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 14.5 p -60.4 -32.86 52.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.951 0.405 . . . . 0.0 111.729 -175.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.3 m -74.29 -18.74 60.67 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -178.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.766 ' HB2' ' HG2' ' A' ' 84' ' ' PRO . . . -62.67 -55.85 34.97 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -173.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.632 ' HD3' ' HB3' ' A' ' 87' ' ' ALA . 29.3 Cg_exo -63.22 -8.99 15.75 Favored 'Trans proline' 0 C--N 1.358 1.059 0 C-N-CA 122.649 2.233 . . . . 0.0 113.586 -174.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.468 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 61.6 mt -64.68 -42.43 95.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.068 0.461 . . . . 0.0 109.875 176.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -98.95 -50.81 4.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.554 175.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.652 ' HB3' ' HB3' ' A' ' 94' ' ' LYS . 2.8 m-20 -88.04 38.74 0.86 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.328 -173.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.443 ' HB1' ' HA3' ' A' ' 28' ' ' GLY . . . -53.1 -52.28 59.12 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -171.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.456 ' HA ' HD12 ' A' ' 96' ' ' ILE . 2.4 mp0 -77.54 -23.22 50.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.043 0.449 . . . . 0.0 110.463 -177.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.652 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 66.4 tttm -73.07 -39.42 65.88 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.76 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 91' ' ' ASP . 87.5 t -60.21 -38.95 79.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.302 175.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.456 HD12 ' HA ' ' A' ' 93' ' ' GLU . 76.1 mt -61.34 -49.18 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.318 175.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -61.27 -36.29 79.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.991 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.69 -41.44 95.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.59 79.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.802 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.94 -28.36 70.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.07 0.462 . . . . 0.0 110.92 177.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.56 -17.2 64.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.83 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -83.95 -9.05 58.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.597 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.436 HG23 HG21 ' A' ' 79' ' ' VAL . 24.5 pt -122.75 -33.21 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.761 178.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 CA--C 1.518 -0.265 0 CA-C-N 116.765 -0.198 . . . . 0.0 111.487 -178.637 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 34.6 mtmm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.854 0.359 . . . . 0.0 111.893 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.467 ' HE ' ' CD ' ' A' ' 59' ' ' GLU . 1.7 tpt180 -103.71 167.2 9.94 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.288 -0.414 . . . . 0.0 109.945 175.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.529 ' CB ' ' HA2' ' A' ' 58' ' ' GLY . 65.5 mmtt -99.72 111.14 23.49 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 57.1 mt -120.94 128.24 76.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.777 0.322 . . . . 0.0 111.273 -178.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.641 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -112.01 132.75 59.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 171.421 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.602 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -137.82 147.1 44.27 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.902 0.382 . . . . 0.0 111.392 -174.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.476 HG11 HG11 ' A' ' 69' ' ' VAL . 57.3 t -121.98 124.71 71.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.464 177.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.3 p -109.54 128.28 55.08 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.043 176.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.72 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . . . -151.11 149.58 29.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.151 -176.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.972 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 18.6 t -158.32 144.48 17.17 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 176.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.536 ' HB2' ' HB ' ' A' ' 67' ' ' THR . . . -102.59 -44.34 5.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.74 0.305 . . . . 0.0 111.217 -177.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.9 m -91.63 -61.81 1.56 Allowed 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.143 -178.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.58 68.11 3.53 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.835 -0.697 . . . . 0.0 111.899 178.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.469 HG12 ' HE2' ' A' ' 19' ' ' TYR . 45.2 t -50.26 -37.27 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -173.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.65 -24.74 66.92 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -177.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -66.88 -34.6 78.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.33 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.3 m -57.37 -48.09 79.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.231 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.469 ' HE2' HG12 ' A' ' 15' ' ' VAL . 69.0 m-85 -80.86 -21.07 41.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.017 -172.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.1 tpt -80.82 -48.71 12.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.709 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.77 -36.72 79.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.577 -176.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.88 -46.24 82.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.325 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.474 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 10.9 mm-40 -80.41 -32.55 37.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.354 -178.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.14 -43.61 97.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.963 0.411 . . . . 0.0 110.199 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.6 mt -60.34 -38.86 85.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.802 175.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.452 ' HE3' HG22 ' A' ' 38' ' ' VAL . 15.1 mttp -62.07 -49.17 77.02 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.937 177.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -59.57 -43.34 93.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.596 -178.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.64 -41.73 95.83 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.234 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.3 -42.91 96.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.888 0.375 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.426 ' HD3' ' O ' ' A' ' 26' ' ' LYS . 5.4 mptp? -69.95 -29.79 67.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.066 178.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -64.23 -43.47 94.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.056 0.455 . . . . 0.0 110.24 176.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.443 ' HB2' HD22 ' A' ' 34' ' ' ASN . 16.3 mmt -72.79 -34.88 67.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.705 177.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 2' ' ' LYS . . . 103.88 55.47 0.78 Allowed Glycine 0 C--O 1.225 -0.424 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.107 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.443 HD22 ' HB2' ' A' ' 32' ' ' MET . 38.2 m-80 -132.99 170.41 15.4 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.137 0.494 . . . . 0.0 111.454 -176.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.404 ' CD2' ' HB3' ' A' ' 2' ' ' LYS . 3.0 mm? -106.57 124.52 49.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.051 175.07 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 17.1 tt -128.53 136.59 59.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.345 0.593 . . . . 0.0 111.397 -175.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -116.04 106.03 13.3 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.876 175.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.602 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 16.9 m -102.07 143.49 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 CA-C-O 121.249 0.547 . . . . 0.0 111.439 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.63 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 36.1 tt0 -111.72 131.7 55.12 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.389 174.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.435 ' OG1' ' HB2' ' A' ' 47' ' ' GLU . 38.6 p -98.25 104.16 16.17 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 121.371 0.605 . . . . 0.0 110.329 177.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.72 ' HB3' ' HB2' ' A' ' 10' ' ' ALA . 7.3 tp-100 -89.92 85.13 6.28 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 176.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.14 58.1 4.61 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.051 -175.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 62.63 85.41 0.13 Allowed 'General case' 0 C--O 1.235 0.317 0 C-N-CA 122.936 0.494 . . . . 0.0 110.784 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.7 m 75.79 -36.15 0.28 Allowed 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.009 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.27 113.17 4.26 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.39 -176.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.576 HG12 HE22 ' A' ' 41' ' ' GLN . 16.4 mt -90.34 130.37 39.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -178.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.435 ' HB2' ' OG1' ' A' ' 40' ' ' THR . 50.0 mt-10 -102.69 -47.0 4.56 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.425 -0.51 . . . . 0.0 111.485 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.616 ' HB2' ' HA ' ' A' ' 39' ' ' GLU . 14.3 m120 -81.05 -61.02 2.08 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 121.084 -0.247 . . . . 0.0 111.001 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.61 ' H ' ' HG3' ' A' ' 39' ' ' GLU . 53.6 tt0 66.55 99.32 0.05 OUTLIER 'General case' 0 C--O 1.233 0.186 0 O-C-N 123.803 0.69 . . . . 0.0 110.585 -177.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.63 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 87.0 mt -82.86 132.19 35.17 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.46 177.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.459 ' O ' HG23 ' A' ' 55' ' ' VAL . 38.1 p -91.55 157.78 16.82 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.933 -173.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -49.42 -45.14 45.96 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.984 0.421 . . . . 0.0 110.458 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.418 ' O ' HG12 ' A' ' 57' ' ' ILE . 89.0 tttt -64.24 -45.03 89.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.019 -178.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -69.97 -39.32 76.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.581 -176.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.699 HG21 ' HG3' ' A' ' 74' ' ' ARG . 81.8 t -64.3 -37.56 80.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.956 177.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.84 -21.54 64.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.286 -179.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 53' ' ' LYS . 48.9 mm -70.78 -45.48 73.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 175.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.529 ' HA2' ' CB ' ' A' ' 4' ' ' LYS . . . -65.71 154.26 50.92 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.333 177.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.467 ' CD ' ' HE ' ' A' ' 3' ' ' ARG . 33.7 mt-10 -108.75 -53.62 2.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.636 0.255 . . . . 0.0 110.975 -177.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.464 ' HA ' HG13 ' A' ' 79' ' ' VAL . 22.8 m -102.57 141.08 19.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.813 0.339 . . . . 0.0 110.659 178.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.541 HG22 HD11 ' A' ' 6' ' ' ILE . 21.6 t -110.82 128.79 66.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.7 -177.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.435 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 65.8 mt -110.8 127.62 67.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.132 177.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -119.57 112.19 19.02 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.949 0.404 . . . . 0.0 110.959 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.65 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -113.69 90.84 3.45 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 171.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.542 HG12 ' HB3' ' A' ' 10' ' ' ALA . 24.1 m -131.66 138.69 52.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.672 0.748 . . . . 0.0 112.622 -168.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.972 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 16.0 t70 -114.27 -1.87 13.48 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.416 -1.266 . . . . 0.0 109.212 173.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.536 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 11.3 t -143.9 174.24 11.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.52 -178.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.433 ' HE2' ' HB3' ' A' ' 68' ' ' LYS . 35.4 ttpt -70.97 141.25 51.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.325 -177.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.609 ' HB ' ' HB2' ' A' ' 72' ' ' LYS . 46.2 t -114.86 126.18 72.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.021 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -82.16 -35.51 28.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.785 -175.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.449 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 92.9 m-20 -82.16 -7.22 59.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.709 0.29 . . . . 0.0 111.069 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.609 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 44.1 tttm -50.2 -28.26 7.24 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.144 -178.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -51.33 -34.93 35.77 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -175.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.699 ' HG3' HG21 ' A' ' 55' ' ' VAL . 12.7 ptp180 -83.55 -7.19 59.57 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -174.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.493 ' HD2' ' HA ' ' A' ' 72' ' ' LYS . 33.3 m-85 -96.53 -1.36 47.29 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.188 0.518 . . . . 0.0 109.788 174.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.0 140.19 35.33 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.946 179.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.96 23.3 45.96 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -171.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.65 ' HE3' ' O ' ' A' ' 74' ' ' ARG . 5.8 mtmm -139.03 -158.37 0.85 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.886 -0.657 . . . . 0.0 109.662 -179.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.464 HG13 ' HA ' ' A' ' 60' ' ' VAL . 4.8 p -110.19 107.24 22.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.35 0.595 . . . . 0.0 110.737 -177.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.5 t -107.3 115.17 48.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.578 -175.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.636 HD23 HD11 ' A' ' 102' ' ' LEU . 3.2 tm? -98.87 102.04 13.64 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 172.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -104.9 123.62 48.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.425 -171.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.0 m -134.66 163.76 48.87 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.049 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -59.06 143.79 99.64 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.255 1.97 . . . . 0.0 111.329 173.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.65 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 14.3 p -64.85 -23.53 33.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.992 0.425 . . . . 0.0 111.768 -175.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.8 m -73.96 -20.04 60.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.457 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.419 ' N ' ' HD2' ' A' ' 88' ' ' PRO . . . -70.17 -54.52 9.32 Favored Pre-proline 0 CA--C 1.538 0.499 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -174.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.436 ' HG3' ' CB ' ' A' ' 64' ' ' ALA . 57.4 Cg_endo -69.01 3.68 2.28 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 122.58 2.187 . . . . 0.0 113.75 -175.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 52.2 mt -81.32 -38.96 16.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.371 0.605 . . . . 0.0 109.385 174.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -97.2 -52.09 3.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.119 176.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.574 ' O ' HG23 ' A' ' 95' ' ' VAL . 7.2 m-20 -93.46 37.37 1.05 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.105 -173.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.73 -53.29 54.21 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -172.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -68.69 -29.33 67.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.583 0.706 . . . . 0.0 110.357 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.481 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 64.0 tttt -72.88 -35.87 67.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.271 -177.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 91' ' ' ASP . 95.7 t -65.73 -41.81 91.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.463 175.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.459 ' O ' HD23 ' A' ' 100' ' ' LEU . 80.3 mt -62.79 -48.64 87.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.578 177.256 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -62.82 -26.56 68.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 178.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.15 -37.99 89.16 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.705 0.288 . . . . 0.0 110.649 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.09 84.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.266 0.555 . . . . 0.0 109.913 176.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.459 HD23 ' O ' ' A' ' 96' ' ' ILE . 4.3 mm? -66.33 -30.68 71.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.854 177.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.2 -17.56 64.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.315 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.636 HD11 HD23 ' A' ' 81' ' ' LEU . 90.0 mt -79.58 -36.59 37.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.984 179.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.412 HG13 ' N ' ' A' ' 104' ' ' ASP . 25.5 pt -96.9 -46.91 12.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -175.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.412 ' N ' HG13 ' A' ' 103' ' ' ILE . 46.8 m-20 . . . . . 0 C--N 1.326 -0.438 0 CA-C-O 120.677 0.275 . . . . 0.0 111.273 -177.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.9 tpp180 -65.66 125.45 25.3 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.795 ' HE2' HD12 ' A' ' 35' ' ' LEU . 34.0 mmtp -89.36 117.8 28.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.299 -179.097 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.57 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 56.2 mt -128.9 135.52 61.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 120.889 0.376 . . . . 0.0 110.871 -178.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.786 HD11 HG22 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -114.78 138.02 46.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 171.47 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.442 ' HA ' ' O ' ' A' ' 62' ' ' ILE . . . -132.89 133.26 43.04 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.095 -174.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.2 t -109.82 130.71 62.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' A' ' 64' ' ' ALA . 14.8 p -114.2 130.03 56.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.042 -179.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.519 ' HB3' HG12 ' A' ' 65' ' ' VAL . . . -147.2 158.02 43.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.577 -179.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.639 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 49.0 t -176.22 -34.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.94 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 70.15 -69.16 0.18 Allowed 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.835 0.71 . . . . 0.0 111.667 177.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.8 m -70.5 -48.36 56.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.861 0.362 . . . . 0.0 110.716 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.4 73.92 2.58 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.728 -0.748 . . . . 0.0 111.685 177.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.1 t -59.6 -49.39 83.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 122.404 0.281 . . . . 0.0 111.464 -176.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.77 -36.0 82.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.139 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -64.14 -34.15 77.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.523 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 29.2 m -64.09 -48.84 74.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.614 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -67.07 -38.87 86.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.614 178.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 50.4 tpp -58.86 -53.55 57.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.921 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.09 91.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.049 -178.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.67 -49.03 79.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.257 0.551 . . . . 0.0 110.94 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -72.38 -30.14 64.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.319 -178.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.94 -40.93 62.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.625 0.25 . . . . 0.0 110.867 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.498 HD21 ' HB3' ' A' ' 88' ' ' PRO . 60.6 mt -60.4 -47.09 87.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.769 175.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.624 ' HA ' HG21 ' A' ' 36' ' ' ILE . 40.7 ttmt -61.97 -42.86 99.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.183 177.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -55.68 -50.34 70.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.0 177.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.82 -35.95 73.7 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.005 -0.617 . . . . 0.0 112.678 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.6 -48.45 77.32 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.589 0.233 . . . . 0.0 111.155 -178.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -69.83 -25.81 63.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.756 0.313 . . . . 0.0 110.513 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -68.45 -45.37 72.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.13 176.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 91.4 mmm -75.96 -18.45 59.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.437 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.25 41.87 4.15 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.712 177.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -123.23 179.18 4.79 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.795 HD12 ' HE2' ' A' ' 4' ' ' LYS . 94.5 mt -121.04 125.02 46.25 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 179.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.624 HG21 ' HA ' ' A' ' 26' ' ' LYS . 14.3 tt -129.89 138.36 54.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.193 0.52 . . . . 0.0 111.89 -174.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' HB2' HG22 ' A' ' 6' ' ' ILE . 14.0 mmmm -116.53 108.57 16.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.224 172.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.0 p -100.97 137.63 27.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.293 0.568 . . . . 0.0 111.82 -174.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.794 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 39.1 tt0 -111.53 142.87 43.26 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.173 176.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.648 ' HB ' ' HB2' ' A' ' 47' ' ' GLU . 34.4 m -111.67 109.95 20.08 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 177.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.798 HE21 HG23 ' A' ' 46' ' ' ILE . 16.9 tt0 -134.85 102.09 5.13 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -174.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.74 -50.75 62.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.619 -0.801 . . . . 0.0 111.877 -177.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 179.38 -46.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 177.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.1 m -117.73 -24.91 7.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.281 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.46 137.76 14.28 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.798 HG23 HE21 ' A' ' 41' ' ' GLN . 5.2 mm -119.89 116.18 49.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 -174.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.648 ' HB2' ' HB ' ' A' ' 40' ' ' THR . 28.1 mt-10 -113.82 137.41 51.69 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 177.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 58.9 t30 72.93 -57.62 0.63 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.989 0.916 . . . . 0.0 110.204 -173.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 64.07 103.13 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.281 0.632 . . . . 0.0 111.538 176.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.794 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 83.0 mt -81.42 110.02 16.45 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.523 -179.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 55' ' ' VAL . 33.4 p -73.17 166.17 23.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.526 177.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -51.56 -32.4 28.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.687 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.592 ' O ' HG12 ' A' ' 57' ' ' ILE . 1.3 tmmt? -60.95 -57.72 11.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.196 178.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -66.25 -34.91 79.08 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.111 0.482 . . . . 0.0 110.923 -176.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.536 HG11 ' HG3' ' A' ' 74' ' ' ARG . 73.2 t -61.04 -37.44 77.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.248 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -93.41 7.25 45.23 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.926 0.394 . . . . 0.0 111.415 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.592 HG12 ' O ' ' A' ' 53' ' ' LYS . 36.7 mm -82.71 -49.71 16.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 169.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.531 ' HA2' ' HB3' ' A' ' 4' ' ' LYS . . . -68.59 144.07 41.54 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.965 177.444 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 8.6 pt-20 -99.61 -29.99 12.38 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.662 0.267 . . . . 0.0 110.775 -176.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.594 HG21 ' HB1' ' A' ' 99' ' ' ALA . 8.7 p -125.11 144.57 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 174.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.786 HG22 HD11 ' A' ' 6' ' ' ILE . 11.0 t -112.33 132.05 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.906 0.384 . . . . 0.0 111.062 -176.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.442 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 65.3 mt -112.93 127.95 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.052 176.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.443 ' CD1' HG13 ' A' ' 80' ' ' VAL . 58.7 m-85 -111.77 104.47 12.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.758 177.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.437 ' O ' ' HA ' ' A' ' 9' ' ' THR . . . -96.75 89.92 5.1 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 170.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.519 HG12 ' HB3' ' A' ' 10' ' ' ALA . 27.7 m -136.22 149.77 27.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.336 0.588 . . . . 0.0 111.679 -170.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.639 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 13.3 t70 -116.51 5.3 13.35 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.875 0.845 . . . . 0.0 108.756 173.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.8 t -155.91 -171.66 3.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.845 -1.071 . . . . 0.0 109.208 -178.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -86.63 167.74 14.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.922 0.391 . . . . 0.0 110.607 -178.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.544 ' CG2' ' HB2' ' A' ' 72' ' ' LYS . 23.2 m -136.87 170.54 18.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.915 176.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -94.28 -49.18 5.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.323 0.582 . . . . 0.0 110.912 -175.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.618 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 96.2 m-20 -74.32 -5.66 43.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.276 -171.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.544 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 26.8 ttpp -45.76 -32.05 2.32 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -58.95 -26.09 64.11 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -173.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.618 ' HG2' ' O ' ' A' ' 71' ' ' ASN . 10.9 ptp180 -89.13 -16.07 32.33 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 122.008 -0.432 . . . . 0.0 111.484 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.641 ' HB3' HG11 ' A' ' 61' ' ' VAL . 51.5 m-85 -96.03 -18.78 19.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.202 0.525 . . . . 0.0 110.313 179.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.63 -47.64 83.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.935 -1.03 . . . . 0.0 112.713 -170.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -84.06 29.07 3.93 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.754 -0.736 . . . . 0.0 113.071 -175.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.484 ' HE3' HG12 ' A' ' 55' ' ' VAL . 60.4 mttm -121.97 -105.65 0.37 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.067 0.461 . . . . 0.0 109.87 177.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.592 HG21 HG21 ' A' ' 103' ' ' ILE . 38.5 t -138.72 115.24 10.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.443 HG13 ' CD1' ' A' ' 63' ' ' PHE . 57.7 t -109.99 104.74 17.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.082 0.467 . . . . 0.0 111.689 -173.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.458 HD23 HD11 ' A' ' 102' ' ' LEU . 2.5 tm? -100.12 101.12 12.09 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 172.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -104.24 124.12 48.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.152 -174.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.3 m -140.44 158.42 66.26 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.05 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.41 ' O ' ' HD3' ' A' ' 88' ' ' PRO . 32.4 Cg_exo -59.01 144.41 99.38 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.34 2.027 . . . . 0.0 111.344 175.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.42 HG11 ' HB2' ' A' ' 11' ' ' CYS . 8.7 p -63.71 -20.38 26.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-O 121.074 0.464 . . . . 0.0 111.555 -175.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.1 p -73.93 -27.78 61.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.186 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.533 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -68.03 -52.64 22.82 Favored Pre-proline 0 CA--C 1.539 0.53 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -172.513 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.533 ' HD3' ' HB3' ' A' ' 87' ' ' ALA . 16.6 Cg_exo -68.75 1.23 3.96 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 122.54 2.16 . . . . 0.0 113.459 -175.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 52.0 mt -70.02 -48.74 61.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.047 0.451 . . . . 0.0 110.08 177.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -96.35 -49.2 5.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.092 175.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.44 ' O ' HG23 ' A' ' 95' ' ' VAL . 73.2 m-20 -103.37 40.64 1.37 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.872 -169.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 88' ' ' PRO . . . -53.81 -37.18 63.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.064 0.459 . . . . 0.0 110.382 175.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -56.13 -45.69 79.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.704 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -73.1 -32.22 64.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.768 -178.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 91' ' ' ASP . 60.1 t -70.01 -41.36 79.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.05 0.452 . . . . 0.0 110.605 178.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.82 -48.43 88.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.328 178.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -71.19 -21.04 62.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.324 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.02 -40.26 82.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.839 0.352 . . . . 0.0 110.34 177.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.594 ' HB1' HG21 ' A' ' 60' ' ' VAL . . . -67.22 -44.62 79.05 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.317 178.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.68 -35.46 79.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.474 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.74 -17.53 63.12 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -178.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.458 HD11 HD23 ' A' ' 81' ' ' LEU . 71.0 mt -81.38 -44.37 17.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.931 0.395 . . . . 0.0 111.121 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.592 HG21 HG21 ' A' ' 79' ' ' VAL . 30.7 pt -101.95 -36.92 4.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -173.336 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.9 t70 . . . . . 0 C--N 1.322 -0.621 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -176.042 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 2' ' ' LYS . 37.5 mmtm . . . . . 0 C--O 1.235 0.301 0 CA-C-O 121.25 0.547 . . . . 0.0 109.776 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.755 ' HG3' ' HG3' ' A' ' 59' ' ' GLU . 3.5 tpt180 -75.13 129.84 38.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.949 -176.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.446 ' HE3' HD12 ' A' ' 35' ' ' LEU . 38.5 mmtm -77.65 125.3 29.13 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 176.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 66.0 mt -131.4 133.38 62.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 120.73 0.3 . . . . 0.0 110.74 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.58 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -112.53 129.2 68.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 172.232 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.416 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -134.97 139.98 45.33 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -175.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.8 t -118.33 129.02 75.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.12 178.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.523 ' HA ' ' O ' ' A' ' 64' ' ' ALA . 11.0 p -116.47 118.56 33.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.7 178.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.552 ' HA ' ' O ' ' A' ' 41' ' ' GLN . . . -133.64 123.47 25.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.765 0.317 . . . . 0.0 111.684 -177.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.554 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 52.7 t -131.04 -9.79 3.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.619 175.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.429 ' HB3' HG21 ' A' ' 67' ' ' THR . . . 56.28 -89.23 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.384 0.674 . . . . 0.0 112.25 179.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.0 p -89.04 95.22 10.23 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.033 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 140.91 69.12 0.03 OUTLIER Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -176.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.5 m -58.29 -30.12 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 122.285 0.234 . . . . 0.0 111.599 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.92 -35.48 78.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.014 0.435 . . . . 0.0 110.894 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -84.28 -31.19 25.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.821 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.554 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 24.4 m -70.91 -57.09 4.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.208 -177.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -67.5 -39.48 85.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.539 -176.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.698 ' HA ' HE21 ' A' ' 23' ' ' GLN . 37.7 ttp -64.96 -43.55 92.33 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.08 -178.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.39 96.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.918 0.39 . . . . 0.0 110.714 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.493 ' O ' ' HG3' ' A' ' 26' ' ' LYS . . . -62.99 -43.14 99.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.478 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.698 HE21 ' HA ' ' A' ' 20' ' ' MET . 29.7 pt20 -80.76 -31.31 35.93 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.299 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.34 -39.53 92.5 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 120.975 0.417 . . . . 0.0 110.24 178.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.544 ' HG ' ' HB2' ' A' ' 88' ' ' PRO . 3.0 mt -57.51 -43.6 84.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.617 172.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.493 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 63.4 mttp -60.55 -40.53 91.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.487 178.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.594 ' HG2' ' O ' ' A' ' 23' ' ' GLN . 75.7 mmtt -55.7 -55.8 27.95 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.811 179.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.79 -37.22 94.49 Favored Glycine 0 CA--C 1.519 0.301 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.704 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.2 -49.68 68.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.627 0.251 . . . . 0.0 111.362 -178.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 16.7 ptpt -69.57 -26.16 64.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.804 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.43 -43.02 95.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.198 0.523 . . . . 0.0 110.24 177.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 86.4 mtp -82.14 -14.22 56.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.263 177.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.8 35.97 12.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.137 -0.554 . . . . 0.0 113.144 174.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -104.51 172.79 6.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.701 0.286 . . . . 0.0 110.766 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.446 HD12 ' HE3' ' A' ' 4' ' ' LYS . 97.3 mt -112.09 110.75 21.21 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.436 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 15.1 tt -121.7 145.15 28.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.341 0.591 . . . . 0.0 111.968 -172.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -115.95 112.32 21.68 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.167 170.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.423 HG11 ' HA ' ' A' ' 22' ' ' ALA . 40.0 t -101.92 124.19 55.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.392 -177.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -95.71 123.66 39.38 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.606 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.802 ' HB ' ' HB3' ' A' ' 47' ' ' GLU . 18.0 m -86.78 107.12 18.13 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.589 ' OE1' HG12 ' A' ' 46' ' ' ILE . 54.2 tp60 -113.99 130.61 56.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.429 -176.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.12 -93.51 1.02 Allowed Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 172.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -125.03 -58.16 1.48 Allowed 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 173.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.3 m -126.9 6.25 6.62 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.743 0.782 . . . . 0.0 109.562 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.38 133.95 11.42 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.373 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.589 HG12 ' OE1' ' A' ' 41' ' ' GLN . 5.6 mt -116.61 141.66 33.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 -174.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.802 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 32.1 tt0 -92.17 -42.28 9.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.137 0.494 . . . . 0.0 110.746 177.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -98.9 -57.81 2.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.387 -173.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.84 86.54 0.13 Allowed 'General case' 0 C--O 1.235 0.324 0 O-C-N 124.083 0.864 . . . . 0.0 109.692 -176.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.41 ' O ' ' HD2' ' A' ' 74' ' ' ARG . 6.3 mp -78.06 123.49 26.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.823 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.592 ' O ' HG23 ' A' ' 55' ' ' VAL . 67.6 p -88.49 163.57 15.86 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -173.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -55.23 -27.63 47.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.145 0.498 . . . . 0.0 109.833 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.521 ' O ' HG13 ' A' ' 57' ' ' ILE . 33.1 mmtp -61.44 -54.06 48.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.969 176.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -66.46 -43.47 85.43 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.562 0.696 . . . . 0.0 110.2 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 51' ' ' THR . 98.7 t -63.41 -32.25 55.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.518 -175.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.89 -15.72 57.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.55 0.214 . . . . 0.0 111.35 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' ' 53' ' ' LYS . 81.5 mt -77.59 -46.12 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.758 0.313 . . . . 0.0 110.193 178.173 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.43 ' HA3' HD12 ' A' ' 6' ' ' ILE . . . -59.35 144.71 45.29 Favored Glycine 0 CA--C 1.519 0.34 0 CA-C-N 115.971 -0.558 . . . . 0.0 113.329 179.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.755 ' HG3' ' HG3' ' A' ' 3' ' ' ARG . 4.1 mm-40 -78.57 -54.79 5.76 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.182 0.515 . . . . 0.0 110.087 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.45 ' HA ' HG13 ' A' ' 79' ' ' VAL . 20.7 m -123.69 155.0 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.262 -179.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.486 HG22 HD11 ' A' ' 6' ' ' ILE . 25.0 t -110.43 122.34 64.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.861 0.362 . . . . 0.0 110.542 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.416 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 69.4 mt -104.54 110.68 31.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.976 177.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.462 ' HE2' HG11 ' A' ' 69' ' ' VAL . 0.8 OUTLIER -103.16 96.52 6.84 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.825 -179.396 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.597 ' HA ' ' O ' ' A' ' 83' ' ' VAL . . . -96.49 89.7 5.12 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 173.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.96 139.12 41.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.005 -172.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.65 -4.51 10.27 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.135 175.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.447 ' HB ' ' H ' ' A' ' 68' ' ' LYS . 30.9 p -131.29 -160.74 1.07 Allowed 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.625 -177.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.447 ' H ' ' HB ' ' A' ' 67' ' ' THR . 51.8 tttp -75.62 143.71 42.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.785 -176.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.462 HG11 ' HE2' ' A' ' 63' ' ' PHE . 2.7 p -142.84 119.7 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.011 176.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -89.71 -25.24 21.29 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.741 -174.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -80.98 -6.51 58.85 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.054 -175.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -55.52 -23.75 28.06 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.477 0.656 . . . . 0.0 109.51 177.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.565 ' HB3' HH21 ' A' ' 74' ' ' ARG . 10.4 tp10 -41.13 -39.12 1.2 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 114.2 -1.364 . . . . 0.0 111.664 171.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.565 HH21 ' HB3' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -69.75 -55.31 10.23 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.019 0.438 . . . . 0.0 111.315 -179.031 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -79.94 3.58 19.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.914 -170.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -60.51 -39.54 88.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.911 0.386 . . . . 0.0 111.308 -170.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -95.48 14.74 64.51 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.627 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -110.36 -179.92 3.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.623 -0.339 . . . . 0.0 110.657 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.45 HG13 ' HA ' ' A' ' 60' ' ' VAL . 3.4 p -83.89 100.81 7.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.58 0.705 . . . . 0.0 110.35 -177.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 84.3 t -112.51 128.28 69.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.799 -173.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.8 tp -102.52 117.76 35.4 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 168.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -96.92 102.11 13.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.53 0.681 . . . . 0.0 110.36 -177.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.597 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -111.92 145.19 32.21 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.484 -177.157 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -57.11 143.63 92.49 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.749 2.3 . . . . 0.0 111.79 175.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 8.3 p -62.03 -22.01 27.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.635 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -171.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.2 m -74.68 -28.73 60.95 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.465 ' N ' ' HD2' ' A' ' 88' ' ' PRO . . . -60.58 -51.61 78.62 Favored Pre-proline 0 CA--C 1.542 0.64 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -170.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.544 ' HB2' ' HG ' ' A' ' 25' ' ' LEU . 37.1 Cg_endo -64.14 -5.86 10.29 Favored 'Trans proline' 0 C--N 1.356 0.957 0 C-N-CA 122.402 2.068 . . . . 0.0 113.76 -174.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 59.0 mt -82.33 -37.93 14.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.803 0.335 . . . . 0.0 110.409 179.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -96.07 -38.62 10.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.935 0.398 . . . . 0.0 111.417 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.802 ' HB3' ' HB3' ' A' ' 94' ' ' LYS . 30.4 m-20 -123.07 43.01 3.05 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.746 -170.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.733 ' O ' HG12 ' A' ' 95' ' ' VAL . . . -54.19 -47.12 72.43 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -64.83 -33.01 74.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.392 0.615 . . . . 0.0 110.183 178.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.802 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 38.0 ttmt -74.43 -39.1 62.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.207 -176.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.733 HG12 ' O ' ' A' ' 92' ' ' ALA . 3.6 p -66.07 -35.74 75.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.082 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.489 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 72.1 mt -62.5 -49.18 84.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.107 -0.952 . . . . 0.0 110.25 174.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -63.06 -34.57 77.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.065 178.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.44 96.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.821 178.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.88 -33.22 75.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.04 0.447 . . . . 0.0 110.563 177.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 92.9 mt -66.04 -29.12 69.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.967 177.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.22 -22.9 66.32 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -178.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 102' ' ' LEU . 4.3 mm? -66.54 -39.34 88.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.685 -178.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 104' ' ' ASP . 28.2 pt -115.93 -45.51 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -177.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.421 ' N ' HG13 ' A' ' 103' ' ' ILE . 2.0 m-20 . . . . . 0 C--N 1.325 -0.485 0 CA-C-O 120.824 0.345 . . . . 0.0 110.295 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.4 mttt . . . . . 0 C--O 1.234 0.288 0 CA-C-O 120.962 0.41 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 -77.68 122.7 25.7 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 176.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.903 ' HD2' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -85.43 116.23 23.62 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.656 179.062 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.625 HG23 HG23 ' A' ' 60' ' ' VAL . 42.9 mt -126.26 132.83 70.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.141 -171.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.705 HG13 ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -106.6 125.29 62.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 171.562 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -131.21 127.84 38.73 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.812 -175.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.3 t -110.72 122.07 64.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.151 0.5 . . . . 0.0 110.588 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.4 p -104.89 121.13 43.05 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.514 175.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.426 ' HB3' HG12 ' A' ' 65' ' ' VAL . . . -153.54 99.64 2.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.551 0.215 . . . . 0.0 111.124 -177.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.722 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 48.7 t -116.69 143.07 46.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.679 0.276 . . . . 0.0 110.7 -178.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.452 ' HB2' ' HB ' ' A' ' 67' ' ' THR . . . -102.25 -14.19 17.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.175 0.512 . . . . 0.0 110.205 177.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.2 m -68.28 -58.79 3.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.299 178.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.76 125.22 2.78 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.899 -178.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.3 t -65.19 -42.09 93.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.857 0.361 . . . . 0.0 111.2 -177.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.75 -31.43 72.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.067 0.46 . . . . 0.0 110.924 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.6 m170 -69.78 -40.84 75.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.882 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.666 HG22 HG23 ' A' ' 40' ' ' THR . 25.7 m -56.48 -49.74 73.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.894 177.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.43 ' O ' ' HG3' ' A' ' 23' ' ' GLN . 38.7 t80 -73.77 -42.22 61.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.468 -173.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.559 ' HE2' HD13 ' A' ' 89' ' ' ILE . 40.8 ttp -66.36 -29.32 69.47 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 121.191 -0.203 . . . . 0.0 111.088 -177.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.546 ' HA ' HG12 ' A' ' 89' ' ' ILE . . . -60.57 -44.35 96.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.729 0.299 . . . . 0.0 110.347 177.089 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.6 -39.35 93.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.994 179.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 19' ' ' TYR . 47.2 mt-30 -65.66 -48.82 70.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.134 -178.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.11 -40.06 82.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.969 0.414 . . . . 0.0 110.684 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.464 ' HA ' ' HB1' ' A' ' 92' ' ' ALA . 45.6 tp -61.1 -43.04 99.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.452 177.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -59.65 -45.33 92.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.265 176.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -56.39 -44.86 80.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.747 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.95 -40.72 95.46 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.669 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.79 -41.17 79.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.797 0.332 . . . . 0.0 110.852 -178.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -63.62 -38.99 93.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.312 176.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -63.66 -31.01 72.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.272 -0.877 . . . . 0.0 111.052 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 22.9 mmt -90.7 -17.76 26.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.989 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.54 34.46 11.8 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.1 -0.572 . . . . 0.0 112.942 177.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -98.71 -178.19 3.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.945 0.402 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.493 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 90.7 mt -117.31 97.57 5.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.549 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.7 tt -109.73 139.47 32.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.217 0.532 . . . . 0.0 111.224 -175.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.606 ' HG3' HD22 ' A' ' 50' ' ' LEU . 21.8 tptm -122.55 100.81 7.12 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 173.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.9 p -101.34 143.52 14.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.661 -173.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.801 ' HG3' ' H ' ' A' ' 49' ' ' GLU . 30.2 tt0 -120.4 126.77 51.29 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.654 177.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.666 HG23 HG22 ' A' ' 18' ' ' THR . 90.9 m -99.92 114.62 27.98 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 171.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.621 ' HG3' HG12 ' A' ' 46' ' ' ILE . 8.4 tt0 -117.87 98.74 6.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.276 0.56 . . . . 0.0 110.225 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.73 60.5 4.66 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.707 -0.758 . . . . 0.0 111.889 -178.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 59.54 88.65 0.07 Allowed 'General case' 0 C--O 1.234 0.242 0 C-N-CA 122.978 0.511 . . . . 0.0 110.796 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.3 m 77.06 -39.78 0.34 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.69 -178.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -77.88 96.95 1.34 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.603 178.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.621 HG12 ' HG3' ' A' ' 41' ' ' GLN . 39.5 mt -95.09 127.03 47.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 120.706 0.288 . . . . 0.0 110.714 -176.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -82.5 -42.71 18.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.427 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.467 ' HB2' ' HA ' ' A' ' 39' ' ' GLU . 8.9 m120 -108.95 -60.58 1.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.062 -172.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.801 ' H ' ' HG3' ' A' ' 39' ' ' GLU . 34.4 tt0 76.05 111.46 0.07 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.991 0.917 . . . . 0.0 111.22 -177.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.617 HD13 ' HB ' ' A' ' 6' ' ' ILE . 38.7 mt -86.2 116.47 24.41 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.867 176.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.52 ' O ' HG23 ' A' ' 55' ' ' VAL . 72.9 p -81.41 166.6 20.25 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 -179.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -55.02 -33.62 62.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.34 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.445 ' O ' HG12 ' A' ' 57' ' ' ILE . 88.6 mttt -66.47 -43.96 84.03 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.673 178.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -58.12 -43.42 87.19 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.391 0.615 . . . . 0.0 109.787 176.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.563 HG11 ' HG3' ' A' ' 74' ' ' ARG . 70.1 t -64.74 -37.03 79.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.597 -1.183 . . . . 0.0 112.117 -177.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -80.49 -19.02 46.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.348 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 53' ' ' LYS . 44.3 mm -84.6 -57.42 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.547 ' HA3' HG23 ' A' ' 6' ' ' ILE . . . -57.99 128.92 48.72 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.449 176.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.449 ' HG3' ' HG2' ' A' ' 4' ' ' LYS . 43.4 mt-10 -85.81 -60.02 2.14 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.843 0.354 . . . . 0.0 110.674 -175.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.65 ' HA ' HG13 ' A' ' 79' ' ' VAL . 20.2 m -93.96 141.08 15.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.615 -177.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.648 HG22 HD11 ' A' ' 6' ' ' ILE . 17.9 t -109.56 113.65 44.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.335 -177.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 63.7 mt -93.7 113.29 28.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.989 0.423 . . . . 0.0 110.014 177.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.431 ' HD1' ' HA ' ' A' ' 63' ' ' PHE . 2.1 m-85 -105.53 102.53 11.98 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.126 0.489 . . . . 0.0 111.038 179.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.651 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -108.26 90.03 3.17 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 171.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.426 HG12 ' HB3' ' A' ' 10' ' ' ALA . 18.2 m -137.7 161.59 33.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.712 0.768 . . . . 0.0 112.349 -169.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.722 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 17.7 t70 -137.24 -2.69 2.01 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.131 -1.395 . . . . 0.0 108.978 178.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.452 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 5.9 t -141.82 -171.51 3.36 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.85 -176.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm -72.84 156.66 38.66 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.204 0.526 . . . . 0.0 111.549 -177.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.81 ' HB ' ' HB2' ' A' ' 72' ' ' LYS . 56.1 t -129.07 121.33 53.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.361 173.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -74.79 -34.88 62.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.691 0.282 . . . . 0.0 111.43 -176.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.57 HD21 ' HG3' ' A' ' 49' ' ' GLU . 87.0 m-20 -82.39 -7.14 59.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.463 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.81 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 38.5 ttpt -55.34 -29.36 58.18 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 122.772 0.429 . . . . 0.0 111.977 -175.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -51.23 -33.61 28.68 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -175.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.563 ' HG3' HG11 ' A' ' 55' ' ' VAL . 7.5 ptp180 -87.17 -15.77 37.34 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -174.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.705 ' CE1' HG13 ' A' ' 6' ' ' ILE . 40.5 m-85 -88.91 3.7 50.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.849 0.357 . . . . 0.0 110.258 176.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -56.31 -51.88 66.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.457 -176.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -96.82 36.52 3.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.64 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -129.17 173.62 10.31 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.65 HG13 ' HA ' ' A' ' 60' ' ' VAL . 4.2 p -82.08 119.48 31.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.283 0.563 . . . . 0.0 110.979 -176.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.8 t -113.61 135.04 54.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.858 -173.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -111.4 115.34 29.1 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 173.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -96.13 120.4 36.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 -173.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.566 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 5.2 m -141.75 154.72 66.22 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.29 174.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.85 151.56 74.03 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.222 1.948 . . . . 0.0 110.737 173.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.651 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 9.1 p -62.7 -23.4 32.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.124 0.488 . . . . 0.0 110.958 -177.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.0 m -74.02 -19.44 60.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.75 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.597 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -71.63 -55.63 5.56 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -174.315 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.597 ' HD3' ' HB3' ' A' ' 87' ' ' ALA . 30.6 Cg_exo -62.89 -14.56 41.76 Favored 'Trans proline' 0 C--N 1.359 1.082 0 C-N-CA 122.491 2.127 . . . . 0.0 113.469 -174.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.559 HD13 ' HE2' ' A' ' 20' ' ' MET . 50.9 mt -73.6 -44.67 52.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.094 0.473 . . . . 0.0 110.57 179.06 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -96.47 -31.11 12.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.602 -178.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.58 ' HB3' ' HB2' ' A' ' 94' ' ' LYS . 20.6 m-20 -124.79 42.23 3.32 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -173.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.464 ' HB1' ' HA ' ' A' ' 25' ' ' LEU . . . -52.55 -52.04 56.82 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -178.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -61.72 -27.28 68.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.707 0.289 . . . . 0.0 111.367 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.58 ' HB2' ' HB3' ' A' ' 91' ' ' ASP . 30.4 mmtp -73.03 -46.86 49.55 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 91' ' ' ASP . 65.2 t -60.65 -40.12 83.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.073 -179.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 90.8 mt -61.52 -48.92 86.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.679 178.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -65.98 -28.96 69.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.38 -40.53 97.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.973 0.416 . . . . 0.0 110.68 178.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.75 -41.75 98.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.13 0.491 . . . . 0.0 110.316 177.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.75 -30.54 70.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.863 176.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.67 -21.56 61.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.275 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -82.04 -23.75 35.72 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.38 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 28.5 pt -101.77 -40.04 7.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -177.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 . . . . . 0 C--N 1.328 -0.326 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.805 -177.19 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp . . . . . 0 C--O 1.234 0.246 0 CA-C-O 121.086 0.469 . . . . 0.0 109.766 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 1.017 ' HD2' ' HG3' ' A' ' 59' ' ' GLU . 21.4 tpp180 -69.82 128.51 36.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.468 -173.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.717 ' HD2' ' HB2' ' A' ' 35' ' ' LEU . 14.0 mmmm -86.12 125.45 33.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.99 0.424 . . . . 0.0 110.545 173.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 68.3 mt -125.48 131.88 71.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.707 176.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.713 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -102.62 126.92 56.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 173.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -131.15 112.17 12.61 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -176.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.418 ' HB ' ' CD1' ' A' ' 63' ' ' PHE . 60.3 t -96.48 120.07 45.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.152 0.501 . . . . 0.0 110.026 179.184 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.655 HG22 ' HB3' ' A' ' 64' ' ' ALA . 23.5 p -106.89 134.55 49.88 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.009 178.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.555 ' HA ' ' O ' ' A' ' 41' ' ' GLN . . . -152.65 154.46 35.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.721 0.296 . . . . 0.0 111.148 -178.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 1.07 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 40.1 t -163.69 142.93 8.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.775 175.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.29 -33.96 17.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.741 0.305 . . . . 0.0 111.096 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.8 p -105.47 -72.5 0.71 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -177.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.56 68.87 3.34 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.251 -0.499 . . . . 0.0 112.888 -175.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -64.32 -19.43 24.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.77 0.319 . . . . 0.0 111.705 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.02 -32.78 70.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.119 0.485 . . . . 0.0 110.607 175.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -72.82 -31.3 64.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.36 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.425 HG23 ' HB ' ' A' ' 9' ' ' THR . 22.7 m -61.65 -49.02 78.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.943 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -70.08 -33.35 71.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.344 -177.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.7 tpt -69.53 -44.91 70.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 0.0 110.629 177.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.407 ' HB1' ' HB2' ' A' ' 88' ' ' PRO . . . -60.2 -38.09 82.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.59 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.621 ' HA ' HG11 ' A' ' 38' ' ' VAL . . . -58.1 -47.3 83.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.091 178.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -67.36 -40.29 85.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.57 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.81 -46.31 65.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.397 -178.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.562 HD21 ' HB3' ' A' ' 88' ' ' PRO . 77.1 mt -60.55 -46.16 91.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.041 0.448 . . . . 0.0 110.868 177.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.61 ' HA ' HG21 ' A' ' 36' ' ' ILE . 85.6 tttt -61.84 -44.22 97.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.512 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.52 ' HB2' ' NZ ' ' A' ' 27' ' ' LYS . 2.6 ttmp? -61.48 -47.73 84.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.116 -177.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.85 -50.31 68.98 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.327 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.75 -44.67 96.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.525 0.202 . . . . 0.0 111.177 179.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -62.5 -35.56 79.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.049 178.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 31' ' ' LYS . 36.9 ttpt -67.95 -37.1 81.17 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.584 179.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.2 mmt -84.75 3.27 38.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.384 -178.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.58 14.06 68.91 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 120.838 -0.696 . . . . 0.0 113.089 175.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -97.78 170.43 8.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.021 0.439 . . . . 0.0 110.538 -178.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.717 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 87.3 mt -122.42 99.49 6.44 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.142 -179.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.61 HG21 ' HA ' ' A' ' 26' ' ' LYS . 15.0 tt -105.2 140.18 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.966 -177.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.468 ' HB3' HD22 ' A' ' 50' ' ' LEU . 5.8 tmtt? -115.88 105.49 12.73 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 175.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.621 HG11 ' HA ' ' A' ' 22' ' ' ALA . 34.7 t -92.28 120.23 41.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.103 -175.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.607 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 34.3 tt0 -95.12 139.08 31.96 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.197 178.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 25.0 m -117.61 112.83 21.07 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 120.891 0.377 . . . . 0.0 110.99 -176.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.555 ' O ' ' HA ' ' A' ' 10' ' ' ALA . 46.7 tt0 -115.11 134.72 54.91 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 177.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -107.83 -86.21 1.81 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.187 -1.006 . . . . 0.0 111.457 177.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -139.62 107.08 5.55 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.6 p 52.87 25.48 3.94 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.421 0.689 . . . . 0.0 111.7 -175.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.85 128.94 3.24 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.642 -0.583 . . . . 0.0 111.642 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.0 mt -118.0 122.8 70.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -178.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -88.36 -69.58 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.441 -175.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.561 ' HB2' ' HA ' ' A' ' 39' ' ' GLU . 75.4 m-20 -84.6 64.99 8.79 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.591 0.234 . . . . 0.0 110.813 -177.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -57.01 114.36 2.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.269 -178.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.607 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 81.8 mt -72.04 141.05 49.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.199 -178.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.463 ' O ' HG23 ' A' ' 55' ' ' VAL . 44.3 p -79.06 160.72 26.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.553 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -60.51 -38.55 84.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.313 0.578 . . . . 0.0 109.983 177.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.541 ' O ' HG12 ' A' ' 57' ' ' ILE . 47.0 mtmt -62.68 -49.09 76.49 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.905 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -59.56 -38.83 82.13 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.571 HG11 ' HG3' ' A' ' 74' ' ' ARG . 77.8 t -64.59 -42.76 96.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.331 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -73.56 -34.04 64.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.607 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.541 HG12 ' O ' ' A' ' 53' ' ' LYS . 46.4 mm -77.72 -35.97 21.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.033 0.444 . . . . 0.0 110.434 179.134 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.471 ' HA2' ' O ' ' A' ' 4' ' ' LYS . . . -64.57 131.69 37.83 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.17 176.102 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 1.017 ' HG3' ' HD2' ' A' ' 3' ' ' ARG . 6.1 mm-40 -78.04 -66.4 0.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.257 0.551 . . . . 0.0 109.985 -177.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.405 HG21 ' HB1' ' A' ' 99' ' ' ALA . 28.3 m -101.65 150.27 6.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.263 -176.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 20.4 t -110.24 114.75 47.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.057 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.9 mt -91.88 114.83 29.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.418 ' CD1' ' HB ' ' A' ' 8' ' ' VAL . 4.0 m-85 -103.85 95.41 6.0 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.788 0.328 . . . . 0.0 110.755 177.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.655 ' HB3' HG22 ' A' ' 9' ' ' THR . . . -97.28 89.81 4.88 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 171.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.444 ' HB ' ' H ' ' A' ' 66' ' ' ASP . 19.2 m -131.82 -169.11 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.456 0.646 . . . . 0.0 112.605 -167.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 1.07 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 23.4 t70 -157.71 -34.89 0.07 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.261 -1.336 . . . . 0.0 108.556 -174.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.6 t -117.12 -175.96 2.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.931 -1.031 . . . . 0.0 108.623 171.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -80.4 158.59 25.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.975 0.417 . . . . 0.0 110.735 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.8 m -113.7 156.71 14.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.085 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.569 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 47.2 ttt180 -92.55 -39.58 11.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.105 0.479 . . . . 0.0 110.506 179.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.482 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 13.0 m-20 -68.81 -6.07 24.66 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.621 -172.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.487 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 21.2 pttp -49.77 -23.37 1.79 Allowed 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.104 0.253 . . . . 0.0 111.543 174.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.569 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 28.7 mt-10 -43.0 -50.32 5.91 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.285 0.634 . . . . 0.0 111.546 176.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.571 ' HG3' HG11 ' A' ' 55' ' ' VAL . 6.6 ptp180 -84.37 -25.15 29.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.544 -172.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.639 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 24.3 m-85 -81.13 -6.97 59.44 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.125 178.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -64.09 121.13 13.44 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 177.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.7 -12.03 64.52 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.501 -178.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.639 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 25.3 mtpp -93.32 172.62 8.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.67 0.271 . . . . 0.0 110.396 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.0 t -85.77 118.42 32.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -178.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.9 t -118.32 141.82 35.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.795 0.331 . . . . 0.0 111.679 -172.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -125.34 115.93 21.1 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 174.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.409 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 50.5 mt-10 -109.45 125.7 52.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.852 0.358 . . . . 0.0 111.898 -173.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.4 m -139.03 158.56 69.41 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.091 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.417 ' O ' ' HD3' ' A' ' 88' ' ' PRO . 34.9 Cg_exo -61.62 141.03 89.81 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.578 2.186 . . . . 0.0 111.149 174.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.453 ' O ' ' HD2' ' A' ' 88' ' ' PRO . 14.5 p -59.83 -27.97 39.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -176.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.7 m -74.15 -19.69 60.48 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.616 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -68.38 -54.85 13.5 Favored Pre-proline 0 CA--C 1.539 0.536 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -175.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.616 ' HD3' ' HB3' ' A' ' 87' ' ' ALA . 44.2 Cg_exo -58.68 -14.85 23.32 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 122.901 2.401 . . . . 0.0 114.052 -174.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 47.9 mt -60.08 -51.08 77.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.109 0.481 . . . . 0.0 110.171 176.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -96.92 -36.29 10.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.145 177.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.626 ' HB3' ' HB3' ' A' ' 94' ' ' LYS . 3.3 m-20 -98.21 33.41 2.19 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.816 -173.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.78 -51.23 64.11 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.67 0.271 . . . . 0.0 111.245 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -64.46 -33.07 75.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.188 -179.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.626 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 29.3 tptp -68.81 -40.93 79.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.804 -178.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 91' ' ' ASP . 74.4 t -70.16 -44.77 77.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.04 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.04 -44.65 99.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.741 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -67.23 -38.79 85.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.203 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.38 99.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.831 0.348 . . . . 0.0 110.837 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.405 ' HB1' HG21 ' A' ' 60' ' ' VAL . . . -62.24 -38.92 91.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.945 179.057 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 98.9 mt -74.71 -31.34 61.83 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.107 178.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.99 -37.98 85.19 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -175.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.494 HD12 HG23 ' A' ' 103' ' ' ILE . 2.3 pp -73.49 -5.86 42.76 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -176.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.494 HG23 HD12 ' A' ' 102' ' ' LEU . 23.1 pt -112.93 -33.38 2.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 120.963 0.411 . . . . 0.0 110.462 172.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 17.6 t70 . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.137 178.948 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.2 ttp . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.817 0.341 . . . . 0.0 110.456 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 36.8 mtmm -91.79 101.49 14.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.702 -178.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.43 ' HE ' ' CD ' ' A' ' 59' ' ' GLU . 3.5 tpt180 -74.48 141.36 44.94 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.509 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 27.6 mmtp -90.75 114.1 26.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.483 -176.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.567 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 70.5 mt -134.77 139.88 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.55 0.214 . . . . 0.0 110.806 -177.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.903 HG22 ' HB2' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -118.28 146.06 23.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 171.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -144.23 132.26 21.61 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 121.251 -0.179 . . . . 0.0 110.7 -176.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.404 HG11 ' CG1' ' A' ' 69' ' ' VAL . 46.8 t -105.75 131.17 55.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.001 0.429 . . . . 0.0 110.859 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.6 p -119.38 126.39 51.28 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.639 176.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.468 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -152.87 127.98 9.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.058 0.456 . . . . 0.0 111.622 -176.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.6 t -149.26 147.44 28.38 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.521 ' HA ' ' HB2' ' A' ' 43' ' ' ALA . . . -92.14 -75.14 0.49 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.019 0.438 . . . . 0.0 110.81 -177.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 p -95.56 94.52 7.81 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.298 0.571 . . . . 0.0 110.528 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 129.57 48.08 0.15 Allowed Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -175.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.7 m -66.98 -14.26 17.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 N-CA-C 111.722 0.268 . . . . 0.0 111.722 -176.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.46 -33.0 67.52 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 175.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -63.78 -53.03 57.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.163 174.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.499 HG22 HG23 ' A' ' 40' ' ' THR . 5.6 m -53.28 -53.87 44.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.687 -176.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.588 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 82.1 m-85 -67.56 -46.61 72.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.507 -176.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.6 tpp -61.67 -41.95 98.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.754 0.312 . . . . 0.0 110.786 -178.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.06 -47.56 82.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.575 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.47 -31.59 71.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.285 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 19' ' ' TYR . 27.3 mm-40 -76.5 -52.99 8.73 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 121.103 -0.239 . . . . 0.0 110.67 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.69 -43.44 98.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.952 0.406 . . . . 0.0 111.103 -177.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.3 tp -60.8 -42.31 97.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.679 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -64.89 -45.67 84.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.303 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -59.39 -48.12 82.84 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.057 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.26 -45.16 96.56 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.631 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.95 -39.42 94.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.934 0.397 . . . . 0.0 111.067 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -68.91 -38.81 79.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.527 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -64.21 -37.74 88.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.625 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 87.4 mmm -74.5 -21.2 59.68 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.646 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.91 51.91 2.91 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.764 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.57 ' HA ' ' HA ' ' A' ' 2' ' ' LYS . 42.8 m-80 -126.65 -177.85 4.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.702 0.287 . . . . 0.0 110.612 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.488 ' HG ' ' HB3' ' A' ' 2' ' ' LYS . 83.8 mt -120.51 110.2 16.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.793 177.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.567 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 15.6 tt -120.98 143.56 32.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.087 0.47 . . . . 0.0 111.161 -175.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.903 ' HB2' HG22 ' A' ' 6' ' ' ILE . 68.2 mmtt -115.49 102.73 10.07 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.285 175.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.5 t -96.81 116.65 39.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.005 0.431 . . . . 0.0 110.599 -177.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 28.8 tt0 -94.44 132.66 38.85 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.521 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.499 HG23 HG22 ' A' ' 18' ' ' THR . 56.5 m -118.69 113.38 21.09 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.775 0.321 . . . . 0.0 110.817 -176.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.87 ' HG2' HG12 ' A' ' 46' ' ' ILE . 20.0 mt-30 -103.69 115.69 30.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.72 175.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.02 63.85 3.79 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.254 -1.139 . . . . 0.0 110.254 171.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.521 ' HB2' ' HA ' ' A' ' 12' ' ' ALA . . . 75.5 -73.26 0.09 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 124.099 0.96 . . . . 0.0 110.581 -175.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.8 m -112.86 -33.63 6.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.035 0.445 . . . . 0.0 110.644 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.8 111.42 3.24 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.735 -177.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.87 HG12 ' HG2' ' A' ' 41' ' ' GLN . 40.1 mt -85.38 120.92 36.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -96.31 -16.93 21.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.769 0.319 . . . . 0.0 111.674 -174.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.46 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 65.5 t30 -140.68 82.46 1.85 Allowed 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.783 ' HG3' HD21 ' A' ' 71' ' ' ASN . 36.8 tt0 -76.2 111.65 11.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.227 -174.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 70.0 mt -82.01 117.16 22.01 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.063 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.2 p -82.09 176.64 9.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.737 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -53.73 -40.19 65.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.485 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.568 ' O ' HG13 ' A' ' 57' ' ' ILE . 25.1 ttpp -53.09 -55.95 19.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.299 176.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -66.09 -39.16 89.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.335 0.588 . . . . 0.0 110.544 -174.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.802 HG21 ' HG3' ' A' ' 74' ' ' ARG . 38.9 t -67.72 -32.23 55.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.598 -178.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -79.89 -21.35 44.11 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.824 177.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.568 HG13 ' O ' ' A' ' 53' ' ' LYS . 87.7 mt -68.8 -56.89 10.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 174.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.475 ' HA3' HG23 ' A' ' 6' ' ' ILE . . . -72.88 135.49 21.66 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.905 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 9.0 pt-20 -90.14 -45.15 9.31 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.371 -0.488 . . . . 0.0 110.961 -178.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.631 HG11 ' HB1' ' A' ' 99' ' ' ALA . 39.2 t -93.87 135.61 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.682 HG22 HD11 ' A' ' 6' ' ' ILE . 23.6 t -110.06 109.44 28.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.37 177.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.1 mt -91.22 128.46 42.98 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -112.92 107.77 16.46 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.744 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.676 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -118.3 90.69 3.39 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 173.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 10' ' ' ALA . 27.3 m -140.95 152.49 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.941 -170.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -105.21 -19.78 13.71 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.583 169.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.8 t -125.84 -172.96 2.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.257 -176.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -78.19 161.33 27.4 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.24 0.543 . . . . 0.0 111.703 -175.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.709 ' HB ' ' HB3' ' A' ' 72' ' ' LYS . 48.2 t -114.83 144.1 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.188 177.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.621 ' HB2' HD11 ' A' ' 46' ' ' ILE . 52.4 mtp180 -92.62 -40.87 10.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.899 0.38 . . . . 0.0 110.998 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.783 HD21 ' HG3' ' A' ' 49' ' ' GLU . 94.9 m-20 -79.32 -5.9 55.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.318 -178.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.709 ' HB3' ' HB ' ' A' ' 69' ' ' VAL . 22.1 pttp -48.42 -24.97 1.42 Allowed 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.488 0.492 . . . . 0.0 112.081 -177.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -51.67 -42.59 62.25 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.251 0.345 . . . . 0.0 111.706 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.802 ' HG3' HG21 ' A' ' 55' ' ' VAL . 12.2 ptp180 -80.98 -27.54 35.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.732 0.301 . . . . 0.0 111.596 -177.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.593 ' HB3' HG11 ' A' ' 61' ' ' VAL . 90.8 m-85 -77.67 -29.23 51.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.877 178.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -66.32 128.44 36.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.637 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.07 -10.88 48.22 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -176.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.429 ' HE2' ' O ' ' A' ' 55' ' ' VAL . 18.5 mtpp -100.56 174.19 6.2 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 176.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.402 HG13 ' HA ' ' A' ' 60' ' ' VAL . 6.9 p -84.53 121.28 36.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -177.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.663 HG12 ' HB ' ' A' ' 61' ' ' VAL . 3.2 m -121.92 160.23 23.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.584 0.706 . . . . 0.0 112.268 -170.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -129.46 103.22 6.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.522 175.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -93.86 121.85 35.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.396 -174.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.6 m -141.06 164.04 38.38 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.402 178.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -62.94 148.98 92.87 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.303 2.002 . . . . 0.0 111.214 173.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.676 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 12.7 p -64.31 -24.06 34.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.213 0.53 . . . . 0.0 111.075 -177.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.6 p -74.67 -20.13 60.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.938 178.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.57 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -63.67 -53.61 49.38 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -174.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.57 ' HD3' ' HB3' ' A' ' 87' ' ' ALA . 23.4 Cg_exo -65.55 -3.58 8.06 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 122.428 2.086 . . . . 0.0 113.208 -177.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 81.4 mt -83.25 -45.0 18.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.091 0.472 . . . . 0.0 110.257 176.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -96.53 -29.52 13.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.598 -176.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.492 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.8 OUTLIER -130.95 42.99 3.17 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -173.659 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' A' ' 88' ' ' PRO . . . -52.37 -51.39 59.21 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -177.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.443 ' H ' ' CD ' ' A' ' 93' ' ' GLU . 1.5 mp0 -60.12 -33.15 71.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.142 0.496 . . . . 0.0 110.514 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.483 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 1.1 tppp? -71.6 -39.37 70.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.838 -178.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 91' ' ' ASP . 59.6 t -63.68 -38.83 83.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.46 177.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 92' ' ' ALA . 76.9 mt -63.11 -42.12 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.297 176.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -63.71 -36.73 84.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.712 176.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.69 -40.22 96.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.631 ' HB1' HG11 ' A' ' 60' ' ' VAL . . . -60.29 -42.17 94.92 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.319 0.581 . . . . 0.0 110.163 176.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.97 -29.09 69.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.754 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.878 ' HA ' ' HA ' ' A' ' 105' ' ' GLU . . . -71.11 -19.15 62.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.753 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.02 -21.34 31.67 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.642 0.258 . . . . 0.0 111.336 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.0 pt -113.9 -24.98 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -177.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -135.92 -54.61 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.768 0.318 . . . . 0.0 110.42 -174.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.878 ' HA ' ' HA ' ' A' ' 101' ' ' ALA . 28.6 tt0 68.72 101.97 0.06 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.186 -0.916 . . . . 0.0 112.271 178.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 57.6 tttp . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.635 -0.698 . . . . 0.0 110.206 168.61 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.2 mtt . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 121.027 0.442 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.65 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 46.2 pttt -81.55 80.72 7.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.362 0.601 . . . . 0.0 111.393 -177.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 0.6 OUTLIER -84.47 133.7 34.47 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 176.159 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.561 ' HG3' ' HG3' ' A' ' 59' ' ' GLU . 4.6 ptpt -92.56 116.6 29.14 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.35 0.595 . . . . 0.0 110.983 -177.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.503 HG23 HG23 ' A' ' 60' ' ' VAL . 50.1 mt -129.38 140.43 49.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.478 -174.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.793 HD11 HG22 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -114.52 137.15 48.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 173.198 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.46 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -138.0 132.31 32.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.832 0.348 . . . . 0.0 111.006 -175.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -108.84 116.2 51.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.474 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.1 p -100.97 114.13 27.75 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.201 174.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.66 ' HA ' ' O ' ' A' ' 41' ' ' GLN . . . -136.37 109.14 7.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.171 0.51 . . . . 0.0 111.128 -177.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.425 ' HB2' HG21 ' A' ' 85' ' ' VAL . 45.5 t -119.4 128.44 54.05 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.585 -178.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.08 -10.65 17.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.356 177.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.3 m -84.74 -51.53 6.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.467 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.4 108.53 0.7 Allowed Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.564 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.4 t -56.33 -32.14 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.877 0.37 . . . . 0.0 111.278 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.03 -35.48 71.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.969 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.7 m170 -66.27 -33.13 75.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.155 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.416 HG22 HG22 ' A' ' 40' ' ' THR . 25.6 m -58.32 -51.64 68.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.125 0.488 . . . . 0.0 110.8 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -75.95 -33.64 59.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.848 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.443 ' SD ' HD13 ' A' ' 89' ' ' ILE . 48.7 ttm -62.64 -48.84 77.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.852 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.478 ' HA ' HG12 ' A' ' 89' ' ' ILE . . . -65.37 -47.82 75.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.943 -177.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.01 -42.7 85.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.513 -178.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -70.49 -47.43 60.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.279 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.55 -43.3 90.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.042 0.448 . . . . 0.0 110.951 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.596 ' HB2' ' HB2' ' A' ' 88' ' ' PRO . 57.9 tp -60.67 -48.95 79.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.983 177.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -67.91 -30.31 69.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -62.45 -48.09 81.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.017 177.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.66 -40.8 96.07 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.744 177.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.502 ' HB1' HD21 ' A' ' 34' ' ' ASN . . . -62.22 -48.26 80.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.999 0.428 . . . . 0.0 111.166 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -64.66 -32.07 73.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.253 0.549 . . . . 0.0 110.151 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -67.57 -30.29 69.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.545 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 21.8 mmt -80.99 -28.36 35.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.74 -179.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.88 18.73 17.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.546 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.65 ' HA ' ' HA ' ' A' ' 2' ' ' LYS . 1.7 p-10 -104.42 168.22 9.24 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.031 0.443 . . . . 0.0 110.998 178.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.7 mt -100.5 130.42 46.58 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.674 -178.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.497 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 17.4 tt -137.34 139.34 43.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.231 0.539 . . . . 0.0 111.344 -176.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.07 102.25 9.46 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.253 177.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 3.6 m -93.99 130.2 43.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.079 0.466 . . . . 0.0 111.55 -179.144 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.642 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 36.8 tt0 -103.94 137.95 41.2 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.832 176.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.478 ' OG1' ' HB3' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -106.45 111.53 24.14 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.493 179.812 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.66 ' O ' ' HA ' ' A' ' 10' ' ' ALA . 7.8 tt0 -131.92 163.14 29.0 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.61 -72.57 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.24 -0.981 . . . . 0.0 112.138 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.86 122.1 4.64 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.1 p 52.75 26.89 4.81 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.484 0.713 . . . . 0.0 111.951 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.58 118.2 0.81 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.884 -175.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 50.2 mt -110.96 127.7 67.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 175.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.478 ' HB3' ' OG1' ' A' ' 40' ' ' THR . 40.1 tt0 -90.94 -63.48 1.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.06 -175.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.49 ' HB3' ' HA ' ' A' ' 39' ' ' GLU . 19.3 t-20 -69.95 -47.15 63.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.304 -175.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 63.38 87.97 0.1 Allowed 'General case' 0 C--O 1.236 0.345 0 O-C-N 123.726 0.641 . . . . 0.0 110.442 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.642 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 84.6 mt -66.01 110.99 3.13 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.537 0.684 . . . . 0.0 111.21 -177.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.479 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -74.42 156.6 36.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.431 -178.495 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -53.34 -39.27 63.97 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.904 -175.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.534 ' O ' HG13 ' A' ' 57' ' ' ILE . 24.5 mtpp -53.78 -56.92 13.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.919 177.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.25 -33.84 75.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -177.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 51' ' ' THR . 89.1 t -63.43 -39.47 85.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.175 178.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -83.23 -18.66 38.47 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.73 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.534 HG13 ' O ' ' A' ' 53' ' ' LYS . 77.2 mt -72.78 -63.12 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 173.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.52 ' HA3' HG23 ' A' ' 6' ' ' ILE . . . -55.91 126.67 40.85 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.338 177.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.561 ' HG3' ' HG3' ' A' ' 4' ' ' LYS . 35.0 mt-10 -84.99 -59.68 2.27 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -177.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.503 HG23 HG23 ' A' ' 5' ' ' ILE . 15.9 m -95.39 145.98 7.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.287 176.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.793 HG22 HD11 ' A' ' 6' ' ' ILE . 12.4 t -112.23 140.51 31.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.913 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.44 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 68.9 mt -119.45 131.14 72.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 176.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -116.56 110.89 19.16 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.755 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.502 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -114.53 91.22 3.55 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 174.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.515 HG12 ' HB3' ' A' ' 10' ' ' ALA . 29.7 m -142.79 156.21 17.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.094 -169.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -101.59 -35.46 9.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.055 168.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.4 t -107.33 -171.8 1.95 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.946 -1.025 . . . . 0.0 110.151 -175.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -78.23 157.63 29.24 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.745 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.504 ' HB ' ' HB3' ' A' ' 72' ' ' LYS . 61.1 t -115.22 133.9 60.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.907 174.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -67.32 -55.71 12.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.306 0.574 . . . . 0.0 110.717 175.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.582 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 87.2 m-20 -71.62 -6.2 39.15 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.766 -170.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.504 ' HB3' ' HB ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -55.6 -23.5 27.71 Favored 'General case' 0 C--O 1.221 -0.428 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 177.407 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -47.42 -44.76 24.95 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.379 0.672 . . . . 0.0 112.445 177.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.582 ' HG2' ' O ' ' A' ' 71' ' ' ASN . 7.7 ptp180 -81.24 -26.87 35.51 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.975 0.417 . . . . 0.0 111.232 -176.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.567 ' CE1' HG13 ' A' ' 6' ' ' ILE . 38.5 m-85 -84.32 -13.12 53.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.452 178.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -63.83 -32.31 73.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.168 -176.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -90.34 9.93 75.92 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.949 176.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -116.66 -174.49 2.58 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.421 HG13 ' HA ' ' A' ' 60' ' ' VAL . 4.6 p -97.34 118.68 44.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.948 0.404 . . . . 0.0 110.454 -178.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.637 HG12 ' HB ' ' A' ' 61' ' ' VAL . 2.8 m -121.56 157.42 25.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.298 0.57 . . . . 0.0 111.829 -174.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.458 ' HB2' HD11 ' A' ' 102' ' ' LEU . 2.5 tm? -126.5 111.63 14.63 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 173.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -95.61 131.75 41.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.961 -174.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.5 m -142.27 163.67 38.14 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.166 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -64.43 153.75 75.29 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.214 1.943 . . . . 0.0 110.952 171.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.502 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 9.4 p -65.07 -25.85 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.024 0.44 . . . . 0.0 111.076 -177.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.47 ' HA ' HD12 ' A' ' 89' ' ' ILE . 30.4 t -74.49 -21.3 59.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.012 0.434 . . . . 0.0 111.179 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.0 -55.36 38.27 Favored Pre-proline 0 CA--C 1.537 0.46 0 N-CA-C 112.737 0.644 . . . . 0.0 112.737 -173.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.596 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 57.8 Cg_endo -69.27 -7.2 20.26 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 121.962 1.775 . . . . 0.0 112.994 -176.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.478 HG12 ' HA ' ' A' ' 21' ' ' ALA . 68.7 mt -77.92 -43.24 28.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.276 0.56 . . . . 0.0 109.737 176.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -97.05 -43.41 7.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.43 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.486 ' HB3' ' HB3' ' A' ' 94' ' ' LYS . 41.3 m-20 -115.36 40.92 2.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.538 -169.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.596 ' O ' HG12 ' A' ' 95' ' ' VAL . . . -56.87 -38.87 73.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.855 0.359 . . . . 0.0 110.959 178.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -59.09 -40.88 86.64 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.286 0.565 . . . . 0.0 110.433 176.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.686 ' HA ' ' HE3' ' A' ' 94' ' ' LYS . 1.8 tpmt? -73.61 -41.72 62.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.52 -175.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.596 HG12 ' O ' ' A' ' 92' ' ' ALA . 5.3 p -65.59 -39.56 85.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.375 -178.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.25 -50.94 77.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.544 174.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -61.59 -36.12 79.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.197 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.56 -36.99 84.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.299 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.88 94.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.688 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.422 ' HB3' ' HG2' ' A' ' 105' ' ' GLU . 4.4 mm? -63.66 -30.66 71.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.105 177.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.748 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -66.0 -17.4 64.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.848 0.356 . . . . 0.0 111.382 -178.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.458 HD11 ' HB2' ' A' ' 81' ' ' LEU . 94.0 mt -75.33 -26.92 59.02 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.509 -179.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 104' ' ' ASP . 19.6 pt -128.37 -49.05 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -175.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.42 ' N ' HG13 ' A' ' 103' ' ' ILE . 27.8 m-20 -95.8 -58.01 2.22 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -172.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.748 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 11.9 mm-40 -70.79 -28.63 64.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.482 -174.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 58.3 tttp . . . . . 0 C--O 1.247 0.923 0 O-C-N 123.87 0.731 . . . . 0.0 110.82 174.788 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.471 ' O ' ' HB3' ' A' ' 34' ' ' ASN . 62.6 mtt . . . . . 0 N--CA 1.481 1.112 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -40.63 97.52 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 -172.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.437 ' HD2' ' CG ' ' A' ' 59' ' ' GLU . 2.9 tpp180 -155.32 143.95 20.5 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.806 172.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.43 ' HD2' ' HB2' ' A' ' 35' ' ' LEU . 13.6 mmmm -79.86 122.0 26.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.092 0.472 . . . . 0.0 110.737 176.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 67.8 mt -127.2 133.89 67.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.29 176.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.602 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.1 OUTLIER -111.8 132.5 60.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 120.907 0.384 . . . . 0.0 110.147 177.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.472 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -135.98 129.59 32.33 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.863 -176.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.614 HG11 HG21 ' A' ' 69' ' ' VAL . 61.9 t -108.8 131.04 60.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.112 0.482 . . . . 0.0 110.618 178.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.485 ' O ' ' HA ' ' A' ' 40' ' ' THR . 17.0 p -115.6 115.94 27.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.373 175.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.517 ' HA ' ' O ' ' A' ' 41' ' ' GLN . . . -139.61 106.59 5.43 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.833 0.349 . . . . 0.0 111.27 -175.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.612 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 52.2 t -148.26 126.03 11.88 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.941 179.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.674 ' HB3' HG21 ' A' ' 67' ' ' THR . . . -108.91 -19.37 13.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.033 -178.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.4 p -76.83 -42.0 42.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.243 0.544 . . . . 0.0 110.468 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -126.38 79.62 0.37 Allowed Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.403 177.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 m -60.25 -28.68 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -174.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.8 -27.79 67.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.099 0.476 . . . . 0.0 110.819 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -74.52 -38.99 62.65 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.612 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 1.5 m -59.96 -58.61 7.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.463 -178.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -66.08 -27.59 68.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.587 -175.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.8 tpp -67.21 -58.64 4.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.242 176.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.11 -39.78 83.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.137 -177.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.514 ' O ' ' HG3' ' A' ' 26' ' ' LYS . . . -53.94 -57.23 11.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.15 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.488 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 76.6 mt-30 -71.96 -33.7 68.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.166 -177.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.77 -43.41 94.36 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.887 0.375 . . . . 0.0 110.482 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.557 HD21 ' HB3' ' A' ' 88' ' ' PRO . 84.0 mt -61.25 -44.03 97.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.099 175.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 54.8 mtpt -63.24 -36.46 83.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 23' ' ' GLN . 89.6 mttt -70.58 -52.58 20.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.156 0.503 . . . . 0.0 110.618 177.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.91 -20.46 48.7 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.972 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.467 ' HA ' HD21 ' A' ' 34' ' ' ASN . . . -54.8 -49.07 71.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.629 0.252 . . . . 0.0 111.244 177.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -69.45 -28.01 65.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.096 0.474 . . . . 0.0 110.765 -177.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.519 ' HD3' ' HG2' ' A' ' 93' ' ' GLU . 86.3 tttt -70.94 -30.23 66.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.219 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.418 ' HA ' ' CE ' ' A' ' 32' ' ' MET . 10.1 mmt -92.62 -14.43 28.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.224 176.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.23 21.16 65.57 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.989 176.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.51 ' C ' HD22 ' A' ' 34' ' ' ASN . 0.3 OUTLIER -115.08 173.08 6.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.652 0.263 . . . . 0.0 111.222 -178.712 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.43 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 62.0 mt -111.21 107.57 16.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.035 -176.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 14.6 tt -106.93 143.31 17.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.193 0.52 . . . . 0.0 110.62 -176.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.448 ' HB2' HG22 ' A' ' 6' ' ' ILE . 13.9 mmmm -116.14 104.34 11.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.064 175.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.472 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 61.3 t -96.56 126.33 49.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.393 0.616 . . . . 0.0 111.505 -175.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.86 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 29.4 tt0 -102.18 147.75 26.26 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.941 175.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' A' ' 9' ' ' THR . 87.3 m -133.72 120.6 20.78 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 120.655 0.264 . . . . 0.0 110.907 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.631 ' HG2' HG12 ' A' ' 46' ' ' ILE . 10.9 mt-30 -121.26 148.18 44.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.165 175.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -94.85 -69.3 1.06 Allowed Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 169.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -143.37 -49.06 0.31 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.086 0.469 . . . . 0.0 109.812 173.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.4 m -119.15 -28.85 5.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.243 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -87.0 129.86 9.7 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.688 -175.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.631 HG12 ' HG2' ' A' ' 41' ' ' GLN . 47.8 mt -109.44 129.75 63.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.448 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 33.1 tt0 -85.99 -32.87 21.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.757 0.313 . . . . 0.0 111.047 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -147.28 94.14 2.35 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 -177.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -68.56 127.66 33.83 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.17 0.509 . . . . 0.0 111.397 -177.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.86 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 78.2 mt -87.6 136.6 32.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.325 175.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.644 ' O ' HG23 ' A' ' 55' ' ' VAL . 77.5 p -90.62 158.58 16.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.724 -178.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -59.38 -35.01 73.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.725 0.298 . . . . 0.0 110.598 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -68.06 -34.74 77.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.92 178.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.17 -43.74 94.21 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.196 0.522 . . . . 0.0 109.984 174.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 51' ' ' THR . 21.2 t -71.52 -31.12 41.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.14 -176.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -74.55 -48.56 26.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.841 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.8 mm -69.81 -29.47 40.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.855 0.36 . . . . 0.0 110.339 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 4' ' ' LYS . . . -64.6 140.58 42.88 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.87 172.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.437 ' CG ' ' HD2' ' A' ' 3' ' ' ARG . 61.1 mm-40 -87.0 -46.45 9.82 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.095 0.474 . . . . 0.0 110.488 -178.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.2 m -125.85 148.43 30.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.013 -176.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.631 ' HB ' HG12 ' A' ' 80' ' ' VAL . 40.9 t -112.14 141.54 27.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.376 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.908 HD11 ' HB2' ' A' ' 99' ' ' ALA . 24.5 mm -113.22 131.65 64.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 120.776 0.322 . . . . 0.0 110.132 174.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -119.06 104.18 10.23 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.209 176.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.671 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -107.63 90.84 3.42 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 172.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 32.6 m -136.3 157.29 37.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.664 0.745 . . . . 0.0 112.715 -170.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.01 -27.76 2.72 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.197 -1.365 . . . . 0.0 108.552 170.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.674 HG21 ' HB3' ' A' ' 12' ' ' ALA . 10.2 p -113.72 -166.0 1.05 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.045 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -87.8 136.23 33.05 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.083 -172.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.614 HG21 HG11 ' A' ' 8' ' ' VAL . 0.8 OUTLIER -115.82 129.15 72.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.313 174.224 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 71' ' ' ASN . 0.0 OUTLIER -85.46 -24.62 27.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.266 0.555 . . . . 0.0 110.717 -170.246 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.43 ' HA ' HH21 ' A' ' 74' ' ' ARG . 83.1 m-20 -82.71 -5.83 59.08 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.233 -179.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.588 ' HB2' HG13 ' A' ' 69' ' ' VAL . 41.1 ttmt -49.42 -28.78 5.55 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.677 0.611 . . . . 0.0 111.081 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.461 ' HB2' ' NH2' ' A' ' 74' ' ' ARG . 38.9 mt-10 -52.96 -37.81 61.46 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.733 177.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.461 ' NH2' ' HB2' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -62.71 -46.32 88.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.333 0.587 . . . . 0.0 110.482 179.748 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.551 ' HD2' ' HA ' ' A' ' 72' ' ' LYS . 4.3 m-85 -83.48 -0.46 50.24 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.738 -174.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -60.56 -47.07 87.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 -178.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -88.68 4.32 85.04 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.562 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.9 -177.04 3.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.818 0.342 . . . . 0.0 110.919 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.9 t -100.03 117.93 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.084 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.631 HG12 ' HB ' ' A' ' 61' ' ' VAL . 1.9 m -124.46 152.02 30.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.234 0.54 . . . . 0.0 111.744 -174.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.528 ' HB3' HD13 ' A' ' 62' ' ' ILE . 2.4 tm? -119.96 106.13 11.73 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 172.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -98.21 132.34 43.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -174.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.6 m -142.87 167.02 17.27 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.3 -178.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -59.77 146.8 94.62 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.469 2.113 . . . . 0.0 111.302 172.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.671 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 14.4 p -62.26 -31.63 52.22 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 -173.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.4 m -75.36 -19.35 59.62 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.61 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -57.85 -54.22 57.65 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -175.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.61 ' HD3' ' HB3' ' A' ' 87' ' ' ALA . 12.7 Cg_exo -71.76 4.02 3.4 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.382 2.055 . . . . 0.0 113.522 -177.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 27.1 mt -67.97 -50.17 61.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 110.607 178.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -96.2 -37.57 10.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.139 0.495 . . . . 0.0 110.792 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.772 ' HB3' ' HB2' ' A' ' 94' ' ' LYS . 28.4 m-20 -104.87 41.86 1.28 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.893 -170.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.719 ' O ' HG12 ' A' ' 95' ' ' VAL . . . -59.43 -44.15 92.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.72 0.295 . . . . 0.0 111.558 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.519 ' HG2' ' HD3' ' A' ' 31' ' ' LYS . 2.2 mp0 -68.09 -30.59 69.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.274 0.559 . . . . 0.0 110.263 178.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.772 ' HB2' ' HB3' ' A' ' 91' ' ' ASP . 74.9 mmtt -74.05 -40.83 62.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.944 -177.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.719 HG12 ' O ' ' A' ' 92' ' ' ALA . 3.1 p -65.48 -37.49 80.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.144 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 73.8 mt -62.21 -46.49 96.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.314 174.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -61.41 -38.45 87.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 177.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.67 -39.68 92.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.661 177.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.908 ' HB2' HD11 ' A' ' 62' ' ' ILE . . . -67.79 -45.38 74.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.037 0.446 . . . . 0.0 110.814 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 98.4 mt -59.14 -27.7 65.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.63 177.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.884 ' HA ' ' HA ' ' A' ' 105' ' ' GLU . . . -63.97 -21.95 66.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.826 177.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.63 -18.16 57.05 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.551 0.204 . . . . 0.0 111.551 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 21.7 pt -115.58 -30.82 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -178.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.445 ' OD2' ' HB3' ' A' ' 106' ' ' LYS . 23.6 t70 -137.31 -41.2 0.57 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.524 -177.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.884 ' HA ' ' HA ' ' A' ' 101' ' ' ALA . 0.4 OUTLIER 63.95 70.65 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.947 -178.584 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.538 ' NZ ' ' HB3' ' A' ' 106' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.244 0.773 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.242 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 ttt . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 121.012 0.434 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.597 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 52.6 mttp -113.82 98.47 7.04 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.789 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -63.58 134.39 55.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.257 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.416 ' CB ' ' HA2' ' A' ' 58' ' ' GLY . 39.7 mmtm -81.89 110.05 16.82 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 178.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.563 HG23 HD13 ' A' ' 62' ' ' ILE . 67.5 mt -117.28 130.96 71.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.317 -176.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.562 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -115.84 125.84 73.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 168.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -132.55 139.17 47.75 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.815 -174.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.483 HG13 ' HB3' ' A' ' 39' ' ' GLU . 52.8 t -118.78 126.31 75.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.382 178.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.476 HG22 ' HB3' ' A' ' 64' ' ' ALA . 35.7 p -107.06 131.4 54.13 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 173.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.442 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -145.74 112.91 6.14 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.858 0.361 . . . . 0.0 111.188 -177.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.0 t -152.25 127.14 9.62 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.91 -21.66 13.95 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.724 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.2 p -94.64 110.06 21.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.414 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.35 71.03 1.09 Allowed Glycine 0 N--CA 1.443 -0.871 0 N-CA-C 110.172 -1.171 . . . . 0.0 110.172 -171.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.5 p -52.14 -23.64 4.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 123.312 0.645 . . . . 0.0 112.606 -175.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.8 -25.9 65.31 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.656 0.265 . . . . 0.0 111.14 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -58.54 -50.31 74.25 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.737 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.595 HG22 HG23 ' A' ' 40' ' ' THR . 3.4 m -62.1 -26.44 68.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.325 -176.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -90.41 -44.19 9.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.023 -178.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.4 tpt -63.73 -41.91 97.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.256 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.13 -45.25 89.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.46 98.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.473 -178.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.427 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 3.5 pt20 -76.6 -36.48 57.48 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.318 -177.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.69 -40.84 79.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.066 0.46 . . . . 0.0 110.132 177.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.536 ' HA ' ' HB1' ' A' ' 92' ' ' ALA . 60.9 tp -63.02 -39.64 95.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.332 175.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -62.07 -40.51 96.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.086 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 23' ' ' GLN . 34.0 mmtp -62.63 -48.99 76.95 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.529 175.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 31' ' ' LYS . . . -58.87 -37.04 90.08 Favored Glycine 0 CA--C 1.517 0.159 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.394 178.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.49 -45.85 82.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.593 0.235 . . . . 0.0 110.799 178.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -69.94 -27.29 64.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.408 178.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 24.4 tptm -61.82 -40.96 97.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.077 177.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.424 ' HB2' ' ND2' ' A' ' 34' ' ' ASN . 92.4 mmm -93.89 -9.84 35.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.302 -177.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.74 58.5 3.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.981 177.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.424 ' ND2' ' HB2' ' A' ' 32' ' ' MET . 36.5 m-80 -124.42 178.33 5.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.784 0.326 . . . . 0.0 110.507 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.597 ' HG ' ' HB3' ' A' ' 2' ' ' LYS . 95.2 mt -114.87 114.1 25.07 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 175.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.8 tt -118.68 140.74 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 CA-C-O 121.554 0.692 . . . . 0.0 111.751 -172.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.969 ' HG3' HD22 ' A' ' 50' ' ' LEU . 1.3 tpmt? -116.48 100.46 7.88 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.761 -1.109 . . . . 0.0 108.424 174.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 8.1 p -99.96 130.65 48.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.357 0.599 . . . . 0.0 111.834 -174.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.553 ' CD ' HG23 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -100.28 151.85 20.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.331 176.747 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.595 HG23 HG22 ' A' ' 18' ' ' THR . 22.2 m -128.19 97.82 4.89 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.776 0.322 . . . . 0.0 110.461 -177.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.63 HE22 ' HA ' ' A' ' 69' ' ' VAL . 18.6 mt-30 -94.59 107.87 19.85 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 174.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.95 -11.42 74.2 Favored Glycine 0 CA--C 1.516 0.145 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.517 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -169.24 -128.01 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 m -85.76 -5.03 59.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.439 0.637 . . . . 0.0 109.332 172.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.08 163.23 29.07 Favored Glycine 0 C--N 1.334 0.444 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.909 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.553 HG23 ' CD ' ' A' ' 39' ' ' GLU . 3.9 mp -117.14 139.21 45.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 122.011 0.124 . . . . 0.0 111.05 -173.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -104.03 -62.22 1.34 Allowed 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.414 ' HB3' ' HA ' ' A' ' 39' ' ' GLU . 26.9 t-20 -80.51 -43.34 20.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.517 -172.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 69.9 107.01 0.06 Allowed 'General case' 0 C--O 1.233 0.221 0 O-C-N 124.208 0.942 . . . . 0.0 110.934 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.969 HD22 ' HG3' ' A' ' 37' ' ' LYS . 16.6 mt -81.85 104.32 12.14 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 175.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.428 ' O ' HG23 ' A' ' 55' ' ' VAL . 46.7 p -59.45 150.86 25.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.969 -175.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -55.56 -37.38 67.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.712 -178.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -69.26 -43.83 73.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.343 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -65.15 -32.21 73.79 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.033 0.444 . . . . 0.0 110.831 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.526 ' HA ' HG21 ' A' ' 6' ' ' ILE . 76.5 t -71.02 -35.91 61.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.249 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -73.19 -31.26 64.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.757 0.313 . . . . 0.0 110.606 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.3 mm -71.07 -48.69 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 174.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.515 ' HA3' HG23 ' A' ' 6' ' ' ILE . . . -61.29 138.89 47.4 Favored Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 176.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -98.8 -59.07 1.81 Allowed 'General case' 0 C--N 1.317 -0.828 0 O-C-N 122.639 -0.33 . . . . 0.0 110.843 -175.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.6 m -95.37 139.38 18.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.543 HG22 HD11 ' A' ' 6' ' ' ILE . 18.4 t -109.86 117.97 55.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.388 -179.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.563 HD13 HG23 ' A' ' 5' ' ' ILE . 2.1 mp -101.55 122.52 53.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.074 0.464 . . . . 0.0 110.148 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -107.84 106.14 16.28 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 177.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.48 ' CB ' ' HG3' ' A' ' 88' ' ' PRO . . . -107.02 90.58 3.34 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 171.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.1 m -136.69 161.0 37.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 121.421 0.629 . . . . 0.0 112.022 -169.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -120.11 -32.7 4.11 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.0 171.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.0 t -106.61 -168.68 1.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.188 174.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -93.15 169.45 10.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.006 0.431 . . . . 0.0 111.048 -176.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.687 HG23 ' HB2' ' A' ' 72' ' ' LYS . 19.1 m -127.88 149.48 32.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.559 -172.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.535 ' HB3' HD11 ' A' ' 46' ' ' ILE . 76.0 ttt180 -94.44 -30.53 14.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.115 0.483 . . . . 0.0 110.494 175.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.556 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 51.5 m-80 -67.29 -13.46 62.01 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.715 -176.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.687 ' HB2' HG23 ' A' ' 69' ' ' VAL . 23.7 tptm -51.13 -31.73 20.49 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 122.914 0.486 . . . . 0.0 112.057 -176.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -52.79 -46.47 67.62 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -176.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 71' ' ' ASN . 11.8 ptp180 -75.63 -13.73 60.34 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -174.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.764 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 25.6 m-85 -91.84 0.82 57.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.598 0.237 . . . . 0.0 111.471 -178.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -63.88 134.27 54.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.761 0.315 . . . . 0.0 110.673 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.27 2.45 90.36 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.275 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.764 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 25.7 mtpp -108.24 179.89 4.08 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.46 HG11 HG23 ' A' ' 103' ' ' ILE . 40.8 t -87.7 124.79 41.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -177.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.4 t -120.36 137.89 52.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.314 0.578 . . . . 0.0 111.931 -172.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -127.87 109.49 11.66 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 174.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -106.29 125.34 50.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.718 -174.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.4 m -139.77 161.81 54.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.886 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -61.17 146.08 97.95 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.495 2.13 . . . . 0.0 111.323 174.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.7 p -64.28 -23.13 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.185 0.516 . . . . 0.0 111.395 -175.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 p -75.09 -24.67 58.17 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.54 -52.98 48.59 Favored Pre-proline 0 CA--C 1.541 0.597 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 -172.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.488 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 74.4 Cg_endo -71.76 1.78 5.38 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 122.237 1.958 . . . . 0.0 113.573 -172.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 67.6 mt -73.22 -44.12 56.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.188 0.518 . . . . 0.0 109.775 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -96.82 -53.79 3.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.62 175.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.777 ' HB3' ' HB3' ' A' ' 94' ' ' LYS . 22.0 m-20 -94.71 42.62 1.09 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.679 -170.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.536 ' HB1' ' HA ' ' A' ' 25' ' ' LEU . . . -58.48 -47.45 84.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.289 0.566 . . . . 0.0 110.726 -174.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -70.73 -26.59 63.45 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.006 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.777 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 28.1 tptp -72.23 -35.98 68.99 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 91' ' ' ASP . 89.8 t -64.72 -40.63 89.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.393 175.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.7 -44.44 98.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.065 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -61.42 -33.46 73.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.752 178.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.81 -40.53 91.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.521 176.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.21 -43.04 96.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.956 0.408 . . . . 0.0 110.457 177.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.436 HD13 HD11 ' A' ' 103' ' ' ILE . 4.2 mm? -61.9 -31.65 71.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.792 175.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.601 ' HA ' ' HA ' ' A' ' 105' ' ' GLU . . . -68.54 -17.64 64.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.446 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.02 -15.41 41.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.571 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.46 HG23 HG11 ' A' ' 79' ' ' VAL . 31.0 pt -119.57 -18.21 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -149.9 -59.42 0.2 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.433 0.158 . . . . 0.0 110.872 -175.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.601 ' HA ' ' HA ' ' A' ' 101' ' ' ALA . 44.4 tt0 70.49 95.28 0.07 Allowed 'General case' 0 N--CA 1.468 0.468 0 O-C-N 124.038 0.836 . . . . 0.0 112.029 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 96.6 mttt . . . . . 0 C--O 1.25 1.125 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.446 173.692 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.453 ' SD ' ' HG3' ' A' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.522 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 85.6 mttt 64.22 97.48 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.843 0.714 . . . . 0.0 109.649 -173.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 3' ' ' ARG . 0.6 OUTLIER -59.74 129.99 44.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 0.0 110.317 -176.091 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.438 ' NZ ' HD12 ' A' ' 35' ' ' LEU . 72.2 mmtt -78.66 105.91 10.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.736 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 48.7 mt -122.33 132.39 71.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 120.983 0.421 . . . . 0.0 110.969 -175.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.75 ' HB ' HD21 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -111.39 131.94 61.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.665 176.211 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.479 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -134.48 140.2 46.04 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.903 0.382 . . . . 0.0 111.053 -175.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.7 t -122.02 117.57 52.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.198 176.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.536 HG22 ' HB3' ' A' ' 64' ' ' ALA . 21.9 p -99.84 123.75 44.43 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.471 175.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.605 ' HA ' ' O ' ' A' ' 41' ' ' GLN . . . -141.88 98.05 3.26 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.733 -174.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.49 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 53.6 t -137.87 107.79 6.32 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.342 177.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.07 -32.82 33.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.15 177.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 m -60.19 -46.95 87.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.742 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -129.94 86.0 0.31 Allowed Glycine 0 N--CA 1.443 -0.854 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 177.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.3 p -62.97 -29.14 46.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.661 0.267 . . . . 0.0 111.363 -176.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.94 -31.74 72.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.04 0.448 . . . . 0.0 110.463 177.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -68.11 -41.52 81.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.867 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.49 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 28.8 m -56.19 -50.81 70.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.217 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.4 ' HD1' ' N ' ' A' ' 19' ' ' TYR . 2.0 m-30 -71.07 -39.85 71.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.997 -175.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.9 ttt -66.34 -40.8 90.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.557 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.442 ' HA ' HG12 ' A' ' 89' ' ' ILE . . . -60.97 -48.61 81.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.415 ' HA ' HG11 ' A' ' 38' ' ' VAL . . . -56.73 -41.28 77.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -71.14 -48.4 52.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.104 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.85 -39.14 93.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.038 0.447 . . . . 0.0 111.076 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.7 tp -64.97 -39.29 93.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.587 177.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -70.1 -28.99 65.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.437 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -65.81 -42.39 90.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.692 176.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.86 -39.46 96.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.736 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.62 -37.83 87.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.501 0.191 . . . . 0.0 110.554 176.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -66.47 -38.34 87.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.821 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -65.99 -53.88 33.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.308 0.575 . . . . 0.0 110.622 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.3 mmt -73.72 -29.0 62.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.243 -177.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.04 57.55 1.3 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.434 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -128.32 170.89 12.55 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.522 ' HG ' ' HB3' ' A' ' 2' ' ' LYS . 79.0 mt -116.03 109.45 17.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.951 0.405 . . . . 0.0 110.035 178.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.47 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 16.3 tt -119.78 141.85 38.01 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.787 -176.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.426 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 15.5 mmtp -115.16 104.55 11.97 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.53 176.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 15.6 t -101.94 121.15 52.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.094 -176.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 40.1 tt0 -94.42 140.63 29.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.586 177.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.0 p -110.79 106.96 16.31 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.999 0.428 . . . . 0.0 110.311 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.605 ' O ' ' HA ' ' A' ' 10' ' ' ALA . 6.5 tt0 -118.3 101.15 7.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.434 -175.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.92 -76.83 1.25 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.367 -0.92 . . . . 0.0 111.91 -177.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.431 ' C ' ' H ' ' A' ' 45' ' ' GLY . . . -143.06 93.7 2.53 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.8 p 59.59 -5.7 0.07 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.521 1.129 . . . . 0.0 113.597 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.431 ' H ' ' C ' ' A' ' 43' ' ' ALA . . . -99.88 113.89 4.85 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 176.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.7 mm -97.81 115.56 38.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 120.429 0.157 . . . . 0.0 111.132 -173.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -109.75 132.74 53.87 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 173.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.431 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 6.8 t30 63.9 71.33 0.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 O-C-N 124.221 0.95 . . . . 0.0 109.3 -171.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.06 110.82 1.94 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.865 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.75 HD21 ' HB ' ' A' ' 6' ' ' ILE . 12.8 tp -77.37 99.77 5.69 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-O 121.3 0.571 . . . . 0.0 109.954 -178.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.469 ' O ' HG23 ' A' ' 55' ' ' VAL . 13.5 t -82.6 168.33 17.43 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.441 -170.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -55.16 -38.85 68.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.207 -173.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.44 ' O ' HG12 ' A' ' 57' ' ' ILE . 72.8 mmtt -56.87 -49.26 76.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.543 0.211 . . . . 0.0 111.136 -179.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -65.89 -42.19 90.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.07 0.462 . . . . 0.0 110.693 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.632 HG11 ' HG3' ' A' ' 74' ' ' ARG . 59.7 t -66.4 -39.03 83.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.012 -175.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -73.12 -34.16 65.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.528 0.204 . . . . 0.0 111.021 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' ' 53' ' ' LYS . 37.6 mm -72.82 -48.97 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.747 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.57 135.08 41.66 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.786 178.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.61 -43.75 7.44 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 122.514 -0.403 . . . . 0.0 111.517 -175.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.469 HG23 HG23 ' A' ' 5' ' ' ILE . 14.0 m -103.56 136.02 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.112 0.482 . . . . 0.0 110.91 179.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.569 HG22 HD11 ' A' ' 6' ' ' ILE . 11.8 t -110.23 135.76 48.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.004 -178.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.8 mt -115.86 117.9 57.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 120.978 0.418 . . . . 0.0 110.243 176.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -104.1 94.42 5.37 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.364 176.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.536 ' HB3' HG22 ' A' ' 9' ' ' THR . . . -95.59 91.44 6.14 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 172.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 10' ' ' ALA . 28.1 m -132.79 -175.44 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 121.723 0.773 . . . . 0.0 112.572 -168.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -153.62 -34.7 0.11 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.185 -1.371 . . . . 0.0 108.406 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.4 t -110.03 -172.15 1.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.548 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -77.05 152.8 34.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.076 0.465 . . . . 0.0 111.339 -177.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.6 t -115.46 134.12 59.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.65 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -84.81 -43.98 13.69 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.953 0.406 . . . . 0.0 111.047 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.477 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 92.0 m-20 -75.17 -5.62 45.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.436 -173.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.583 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 0.1 OUTLIER -53.43 -23.44 9.94 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.786 0.327 . . . . 0.0 111.055 178.275 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.423 ' N ' ' HD2' ' A' ' 72' ' ' LYS . 5.7 pt-20 -44.1 -43.53 6.98 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.758 176.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.632 ' HG3' HG11 ' A' ' 55' ' ' VAL . 7.0 ptp180 -81.78 -29.74 32.62 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -177.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.665 ' HZ ' HD23 ' A' ' 50' ' ' LEU . 55.4 m-85 -81.47 -23.03 37.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.701 0.286 . . . . 0.0 110.609 -178.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -63.0 121.28 13.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.915 175.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.58 -5.23 40.45 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -174.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.433 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 25.3 mtpp -109.31 -175.34 2.73 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 175.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.2 t -94.85 108.25 20.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 -177.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.545 HG12 ' HB ' ' A' ' 61' ' ' VAL . 1.4 m -123.9 152.68 29.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.313 0.577 . . . . 0.0 111.499 -175.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.8 tp -116.25 129.76 56.44 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.033 171.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -110.85 109.24 19.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.844 0.354 . . . . 0.0 110.774 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 19.6 m -125.93 163.17 41.1 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.702 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -62.5 144.27 94.37 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.34 2.027 . . . . 0.0 111.488 174.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.514 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 14.4 p -59.53 -33.52 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -176.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.7 m -74.21 -19.32 60.57 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -178.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.13 -53.95 37.06 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -174.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -68.74 -3.68 11.74 Favored 'Trans proline' 0 C--N 1.359 1.114 0 C-N-CA 122.471 2.114 . . . . 0.0 113.28 -176.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.442 HG12 ' HA ' ' A' ' 21' ' ' ALA . 68.6 mt -67.37 -45.47 85.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 174.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -96.33 -53.82 3.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.935 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.581 ' O ' HG23 ' A' ' 95' ' ' VAL . 11.5 m-20 -90.86 39.73 1.0 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.545 -173.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.39 -50.2 65.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.598 -176.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -60.63 -38.98 86.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -177.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -72.79 -35.91 67.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.167 -176.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 91' ' ' ASP . 67.1 t -64.67 -41.43 92.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.194 176.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.12 -46.93 95.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.588 177.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -66.73 -31.24 71.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.976 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.06 -37.29 83.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.899 178.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.7 -40.54 97.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.285 0.564 . . . . 0.0 110.109 176.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 83.5 mt -69.96 -29.85 67.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.391 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.14 -16.75 64.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.245 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 74.5 mt -84.03 -26.73 28.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.314 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.428 HG13 ' N ' ' A' ' 104' ' ' ASP . 21.3 pt -105.32 -48.7 9.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.361 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.56 ' HB3' ' HD3' ' A' ' 106' ' ' LYS . 14.9 m-20 -84.32 -32.53 24.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.785 0.326 . . . . 0.0 110.303 -177.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 56.9 31.37 19.59 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.301 -174.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.56 ' HD3' ' HB3' ' A' ' 104' ' ' ASP . 58.2 mtpt . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.402 -0.809 . . . . 0.0 110.363 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 59.2 mtmt 60.77 37.12 19.02 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.536 0.684 . . . . 0.0 110.456 -178.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.584 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 18.9 tpp180 -61.66 125.54 24.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.691 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -80.7 113.59 19.0 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.9 mt -124.79 139.53 50.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.94 -177.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.614 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -119.82 136.8 55.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 170.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.564 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -143.94 145.13 32.05 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.813 0.34 . . . . 0.0 111.006 -175.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.0 t -118.51 121.01 66.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.5 p -107.63 115.19 29.71 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.812 177.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.61 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . . . -138.03 146.75 43.43 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.77 0.319 . . . . 0.0 111.191 -175.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.992 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 38.6 t -163.06 134.31 4.88 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 176.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.22 -32.18 10.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.007 0.432 . . . . 0.0 110.192 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.7 p -70.62 -52.05 23.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.546 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -119.39 100.23 0.79 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.532 -177.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.0 t -58.4 -43.32 86.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.804 0.335 . . . . 0.0 111.223 -178.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.58 -30.71 69.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.351 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 56.9 m170 -65.17 -40.56 94.47 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.123 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.9 m -56.78 -42.75 79.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.067 178.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -78.56 -44.68 23.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.112 -175.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.9 tpt -60.03 -43.41 95.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.649 0.261 . . . . 0.0 111.024 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.38 -44.78 95.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.481 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.62 -40.12 92.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.065 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -65.89 -47.05 76.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.9 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.63 -44.08 97.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.964 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 25' ' ' LEU . 46.0 mt -63.05 -43.6 98.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.425 178.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -64.94 -31.46 72.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.363 . . . . 0.0 110.84 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -76.31 -48.04 21.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.756 0.312 . . . . 0.0 110.196 175.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.429 ' O ' ' HB3' ' A' ' 31' ' ' LYS . . . -57.27 -32.84 64.19 Favored Glycine 0 CA--C 1.517 0.212 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.94 179.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.49 -52.04 67.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.788 0.328 . . . . 0.0 110.982 175.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -68.78 -26.3 65.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.827 0.346 . . . . 0.0 110.673 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.429 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 26.5 tptp -62.59 -36.24 82.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.262 176.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.7 mtt -101.0 1.57 39.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.457 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.02 42.9 83.82 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 116.046 -0.524 . . . . 0.0 112.912 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.584 ' HB2' ' O ' ' A' ' 3' ' ' ARG . 10.7 p30 -122.77 174.74 6.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.055 0.455 . . . . 0.0 111.069 177.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.8 mp -116.19 113.12 22.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.172 -176.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.9 tt -113.14 143.57 22.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.439 0.638 . . . . 0.0 111.239 -175.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.722 ' HB3' HD22 ' A' ' 50' ' ' LEU . 19.7 mmtm -115.79 104.37 11.59 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.124 -0.944 . . . . 0.0 108.515 170.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.564 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 7.5 p -108.64 125.88 65.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.094 0.473 . . . . 0.0 111.182 -177.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.881 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 40.1 tt0 -95.79 110.93 23.01 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.535 177.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.823 ' HB ' ' HB3' ' A' ' 47' ' ' GLU . 2.8 m -81.18 98.8 8.23 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.598 177.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.61 ' HB3' ' HB2' ' A' ' 10' ' ' ALA . 1.2 tm0? -92.08 101.33 13.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.327 0.584 . . . . 0.0 109.716 -178.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.71 55.48 4.85 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.805 -175.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 65.2 83.67 0.16 Allowed 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 123.027 0.531 . . . . 0.0 109.954 -178.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.5 m 76.18 -33.91 0.22 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.36 -178.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.36 158.31 43.56 Favored Glycine 0 C--O 1.227 -0.282 0 C-N-CA 121.05 -0.595 . . . . 0.0 111.647 176.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.6 mm -128.47 131.1 69.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 117.072 0.436 . . . . 0.0 111.027 -175.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.823 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 31.0 tt0 -94.24 -36.6 11.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.699 0.285 . . . . 0.0 111.335 177.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -145.65 96.86 2.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.693 -0.231 . . . . 0.0 110.817 -172.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -57.32 134.09 55.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.014 0.435 . . . . 0.0 111.452 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.881 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 33.8 mt -91.06 102.81 15.57 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.66 172.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.74 153.65 43.25 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.733 -174.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -58.26 -41.54 84.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.183 -174.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -58.06 -47.25 83.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.31 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.82 -35.53 81.41 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 120.789 0.328 . . . . 0.0 111.065 -176.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.807 HG11 ' HG3' ' A' ' 74' ' ' ARG . 98.3 t -65.55 -43.55 94.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.25 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -68.95 -32.93 72.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.302 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 77.0 mt -75.53 -42.99 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.498 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.03 140.84 48.09 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.776 -0.647 . . . . 0.0 113.09 179.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -83.68 -72.11 0.47 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.094 0.473 . . . . 0.0 110.624 -178.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 28.0 m -98.71 146.39 8.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.122 -176.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.639 ' HB ' HG12 ' A' ' 80' ' ' VAL . 17.2 t -111.03 121.22 63.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.699 177.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.4 mt -100.44 119.41 48.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.243 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -105.38 104.46 14.19 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.641 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.692 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -108.69 89.51 3.02 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 169.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.566 HG12 ' HB3' ' A' ' 10' ' ' ALA . 17.1 m -134.68 140.97 44.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.586 0.708 . . . . 0.0 112.348 -168.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.992 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 16.7 t70 -105.07 1.56 28.62 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.461 -1.245 . . . . 0.0 109.084 173.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.435 ' O ' ' HB ' ' A' ' 65' ' ' VAL . 11.5 t -153.43 172.09 17.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.053 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -73.93 175.64 7.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.936 0.398 . . . . 0.0 110.488 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.401 ' CG2' ' HB2' ' A' ' 72' ' ' LYS . 33.0 m -132.66 174.66 12.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.99 0.424 . . . . 0.0 111.442 -174.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 71' ' ' ASN . 1.5 ptm180 -93.44 -46.88 7.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.997 -179.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.529 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 93.9 m-20 -76.29 -4.27 41.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.895 -169.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.401 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 63.1 tttm -47.11 -26.06 1.01 Allowed 'General case' 0 N--CA 1.471 0.609 0 O-C-N 123.224 0.328 . . . . 0.0 111.273 176.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -46.28 -53.38 10.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.231 176.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.807 ' HG3' HG11 ' A' ' 55' ' ' VAL . 10.5 ptp180 -87.93 -25.87 22.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.05 -172.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.485 ' HE1' HG13 ' A' ' 6' ' ' ILE . 26.1 m-85 -74.64 -19.57 60.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.847 0.356 . . . . 0.0 110.964 178.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -67.65 115.99 7.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.896 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.5 -13.87 32.88 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 -176.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -97.66 178.91 5.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.738 0.304 . . . . 0.0 110.33 178.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 67.1 t -90.4 108.28 19.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.128 -177.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.639 HG12 ' HB ' ' A' ' 61' ' ' VAL . 1.3 m -122.58 154.4 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.112 0.482 . . . . 0.0 111.27 -178.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.0 tp -117.02 121.42 41.3 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.301 173.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -105.3 100.02 9.62 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.084 0.468 . . . . 0.0 110.762 -176.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.1 m -123.75 164.36 29.32 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.76 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.69 153.18 76.77 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.456 2.104 . . . . 0.0 112.03 176.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.692 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 15.0 p -63.19 -23.66 33.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.131 0.491 . . . . 0.0 111.597 -177.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.9 m -73.91 -19.52 60.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.702 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.14 -57.8 16.73 Favored Pre-proline 0 CA--C 1.534 0.358 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -174.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.442 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 38.3 Cg_endo -65.23 -18.3 60.62 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.227 1.951 . . . . 0.0 112.93 -175.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 69.6 mt -66.11 -42.43 91.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.338 0.59 . . . . 0.0 110.342 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -96.26 -45.1 6.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.042 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.828 ' HB3' ' HB2' ' A' ' 94' ' ' LYS . 19.6 m-20 -112.79 42.37 1.88 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.921 -170.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.678 ' O ' HG12 ' A' ' 95' ' ' VAL . . . -53.38 -44.03 68.29 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -178.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -69.47 -30.9 68.89 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.652 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.828 ' HB2' ' HB3' ' A' ' 91' ' ' ASP . 0.8 OUTLIER -73.87 -43.11 59.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.041 0.448 . . . . 0.0 110.154 -179.769 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.678 HG12 ' O ' ' A' ' 92' ' ' ALA . 4.1 p -63.2 -37.44 79.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.37 -177.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.527 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 75.3 mt -65.25 -51.48 64.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.46 176.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -59.35 -41.19 88.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.961 0.41 . . . . 0.0 111.0 177.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.2 89.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.051 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.04 -38.33 85.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.407 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 71.5 mt -67.26 -31.71 72.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.646 178.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.7 -23.55 66.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.198 177.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.23 -29.03 66.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.578 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 35.0 pt -101.21 6.34 9.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.304 0.573 . . . . 0.0 109.576 172.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 22.4 t70 59.72 40.53 19.65 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.964 178.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 56.09 63.76 1.92 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.057 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp . . . . . 0 C--O 1.248 1.015 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.768 179.409 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.8 mmt . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.52 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -70.94 92.51 0.92 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.749 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -74.79 146.88 41.73 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 -178.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.786 ' HB2' ' HG3' ' A' ' 59' ' ' GLU . 39.5 mmtm -96.66 118.73 33.76 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -176.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.572 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 62.1 mt -134.9 138.35 49.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.923 0.392 . . . . 0.0 110.884 -177.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.696 HD11 HG22 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -122.89 136.36 59.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 171.599 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -135.97 143.92 45.11 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.663 -175.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.475 ' HB ' ' CD1' ' A' ' 63' ' ' PHE . 58.4 t -122.58 132.3 71.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 177.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.599 HG22 ' HB3' ' A' ' 64' ' ' ALA . 17.3 p -116.62 128.14 55.11 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.089 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.13 96.42 1.32 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.761 0.315 . . . . 0.0 111.495 -176.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.733 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 46.9 t -118.09 129.63 55.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.72 0.295 . . . . 0.0 110.272 178.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.36 -16.44 22.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.939 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.1 m -69.58 -51.93 30.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.176 0.512 . . . . 0.0 110.3 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.48 112.56 0.65 Allowed Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.702 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.0 m -62.51 -28.13 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -176.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.69 -34.01 75.0 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.996 0.427 . . . . 0.0 110.851 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -70.99 -33.59 70.56 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.276 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.543 HG22 HG23 ' A' ' 40' ' ' THR . 15.8 m -63.17 -43.23 98.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.8 179.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -65.32 -40.53 93.86 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.82 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.479 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 24.7 ttt -75.06 -37.89 61.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.564 -175.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.92 -39.43 85.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.968 0.413 . . . . 0.0 110.45 178.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.98 -47.79 76.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.254 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 20' ' ' MET . 2.6 pt20 -72.47 -29.72 63.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.086 -176.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.424 ' O ' ' HB3' ' A' ' 27' ' ' LYS . . . -74.07 -40.41 62.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.783 0.325 . . . . 0.0 110.737 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.9 mt -63.07 -42.8 99.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.573 174.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -65.31 -34.79 79.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.844 177.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 24' ' ' ALA . 24.1 tttm -56.99 -55.79 30.07 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.953 173.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.53 -40.4 99.07 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.624 -176.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.55 -48.53 74.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.616 0.246 . . . . 0.0 111.094 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -69.76 -25.54 63.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.5 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -60.36 -32.52 71.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.319 0.581 . . . . 0.0 110.164 174.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.543 ' HB2' ' ND2' ' A' ' 34' ' ' ASN . 86.9 mmm -100.11 4.92 44.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.423 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.459 ' O ' ' HG3' ' A' ' 2' ' ' LYS . . . 71.45 28.01 70.39 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.743 -0.662 . . . . 0.0 113.034 178.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.543 ' ND2' ' HB2' ' A' ' 32' ' ' MET . 86.8 m-20 -88.42 169.45 11.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.244 0.545 . . . . 0.0 111.526 -176.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.52 ' HG ' ' HB3' ' A' ' 2' ' ' LYS . 72.3 mt -110.19 119.03 37.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.475 -0.784 . . . . 0.0 108.916 178.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.572 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 16.5 tt -136.57 139.28 45.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.184 0.516 . . . . 0.0 111.751 -172.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -116.09 109.71 17.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.567 173.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.9 t -101.54 119.02 49.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.062 -176.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.465 ' HB3' HG22 ' A' ' 8' ' ' VAL . 35.8 tt0 -94.49 153.36 17.95 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.071 174.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.543 HG23 HG22 ' A' ' 18' ' ' THR . 61.6 m -132.06 131.91 42.86 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.769 176.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.537 ' HG3' HG12 ' A' ' 46' ' ' ILE . 1.6 tm0? -129.06 131.48 47.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.918 0.39 . . . . 0.0 110.082 -179.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -106.03 69.6 0.23 Allowed Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.173 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 73.95 -42.12 0.5 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.708 0.803 . . . . 0.0 112.138 174.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.2 t -149.85 -21.01 0.26 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.049 0.452 . . . . 0.0 110.605 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.47 111.13 4.15 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.593 -0.813 . . . . 0.0 111.444 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.537 HG12 ' HG3' ' A' ' 41' ' ' GLN . 44.6 mt -91.72 127.0 44.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 -178.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -73.37 -63.57 1.16 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.993 0.425 . . . . 0.0 111.332 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.424 ' HB3' ' HG3' ' A' ' 39' ' ' GLU . 47.7 t30 -87.4 -52.72 5.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.673 -174.056 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.44 ' HA ' HD21 ' A' ' 71' ' ' ASN . 4.5 tm-20 64.75 83.93 0.16 Allowed 'General case' 0 C--O 1.233 0.22 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -170.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.591 HD21 ' HB ' ' A' ' 6' ' ' ILE . 11.9 tp -65.09 110.5 2.53 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.952 -172.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.9 p -68.35 163.89 22.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.853 -175.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -62.83 -35.52 80.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.5 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.51 ' O ' HG13 ' A' ' 57' ' ' ILE . 67.8 mttm -63.79 -42.42 97.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.098 179.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -66.29 -46.85 75.56 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.448 0.642 . . . . 0.0 109.95 175.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.022 HG11 ' HB3' ' A' ' 74' ' ' ARG . 29.6 t -56.73 -47.06 83.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.835 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -71.98 -8.99 57.69 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -175.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 53' ' ' LYS . 78.2 mt -81.92 -49.51 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 172.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.564 ' HA3' HG23 ' A' ' 6' ' ' ILE . . . -65.63 138.94 38.48 Favored Glycine 0 C--N 1.331 0.254 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.749 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.786 ' HG3' ' HB2' ' A' ' 4' ' ' LYS . 27.3 mt-10 -89.03 -63.29 1.31 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.976 0.417 . . . . 0.0 110.275 -178.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.3 m -95.99 147.96 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.999 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.696 HG22 HD11 ' A' ' 6' ' ' ILE . 19.9 t -116.26 129.96 71.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.408 -178.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.7 mt -115.95 124.45 72.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.256 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.62 ' HB2' ' HG2' ' A' ' 82' ' ' GLU . 45.6 m-85 -108.42 107.75 18.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.906 176.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.605 ' HB2' ' HG3' ' A' ' 88' ' ' PRO . . . -96.89 89.59 4.92 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 168.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.7 m -138.23 154.44 27.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 121.705 0.764 . . . . 0.0 112.668 -167.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.733 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 19.3 t70 -113.42 -27.22 7.99 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.082 -1.417 . . . . 0.0 108.476 170.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.4 t -121.03 174.84 6.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.936 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.9 167.61 14.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.77 0.319 . . . . 0.0 110.769 -176.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.402 ' CG2' ' HB2' ' A' ' 72' ' ' LYS . 14.8 m -131.57 168.74 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.136 -179.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.51 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 40.9 ttm180 -92.86 -46.52 7.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.812 0.339 . . . . 0.0 111.423 179.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.44 HD21 ' HA ' ' A' ' 49' ' ' GLU . 55.8 m-20 -65.99 -5.73 10.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.926 -172.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.529 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 55.0 tttp -46.95 -27.91 1.44 Allowed 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.43 172.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 18.6 mt-10 -46.77 -52.71 13.46 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.645 0.736 . . . . 0.0 110.929 177.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 1.022 ' HB3' HG11 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -59.3 -33.98 71.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.613 -1.176 . . . . 0.0 112.911 -175.514 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.529 ' HD2' ' HA ' ' A' ' 72' ' ' LYS . 21.1 m-85 -83.93 -9.42 58.71 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.768 -171.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -63.36 -30.17 71.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.154 0.502 . . . . 0.0 110.621 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -80.67 -8.05 87.92 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.781 -0.645 . . . . 0.0 113.112 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.447 ' HB3' ' H ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -121.33 -154.68 0.6 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.735 0.268 . . . . 0.0 110.879 -178.212 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.699 HG11 ' HB3' ' A' ' 102' ' ' LEU . 45.5 t -110.95 126.73 68.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.661 0.267 . . . . 0.0 110.294 -175.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 62.1 t -119.25 138.31 50.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.303 -174.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -128.74 101.42 6.11 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 174.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.62 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 44.6 mt-10 -91.9 141.63 28.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.047 -177.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.0 m -139.91 162.5 50.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.612 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.05 147.17 91.52 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.25 1.967 . . . . 0.0 110.473 170.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.563 HG21 ' HB2' ' A' ' 11' ' ' CYS . 10.7 p -63.84 -28.25 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 -172.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.8 p -75.31 -24.2 57.43 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.435 ' N ' ' HD2' ' A' ' 88' ' ' PRO . . . -61.39 -53.5 61.66 Favored Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -173.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.605 ' HG3' ' HB2' ' A' ' 64' ' ' ALA . 40.8 Cg_endo -65.63 -6.27 13.46 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 122.255 1.97 . . . . 0.0 113.235 -176.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 67.0 mt -80.88 -42.14 20.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.145 0.497 . . . . 0.0 110.204 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -96.44 -24.77 15.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.612 -178.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.562 ' O ' HG23 ' A' ' 95' ' ' VAL . 14.8 t70 -125.04 27.41 6.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.238 -168.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 88' ' ' PRO . . . -52.67 -52.89 53.89 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -172.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -63.43 -37.55 87.7 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.776 0.322 . . . . 0.0 111.336 -177.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.428 ' HB3' ' CG ' ' A' ' 91' ' ' ASP . 28.8 tptp -73.39 -39.54 65.03 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.21 -176.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 91' ' ' ASP . 85.4 t -61.94 -42.75 95.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.722 176.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.581 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 75.9 mt -64.36 -43.58 97.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.985 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -67.66 -29.19 68.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 177.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.31 -43.38 70.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.41 176.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.79 -37.44 79.1 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.405 176.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 92.3 mt -62.3 -29.07 70.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.998 178.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.511 ' O ' ' HA ' ' A' ' 105' ' ' GLU . . . -66.32 -16.05 63.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.813 0.34 . . . . 0.0 111.457 -179.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.699 ' HB3' HG11 ' A' ' 79' ' ' VAL . 4.1 mm? -83.32 -30.23 27.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.735 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 25.6 pt -107.28 -40.26 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 120.757 0.313 . . . . 0.0 111.776 -178.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.671 ' HB3' ' HE2' ' A' ' 106' ' ' LYS . 1.1 m-20 -83.85 -32.34 25.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.168 177.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.511 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 44.6 mt-10 64.81 14.54 9.25 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.166 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.671 ' HE2' ' HB3' ' A' ' 104' ' ' ASP . 43.0 mtmt . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.59 -0.719 . . . . 0.0 110.389 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.8 ttm . . . . . 0 N--CA 1.484 1.244 0 CA-C-O 120.432 0.158 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp 58.85 34.43 23.68 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.23 0.538 . . . . 0.0 111.607 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.689 ' HE ' ' HG3' ' A' ' 59' ' ' GLU . 13.8 tpt180 -94.87 145.6 24.79 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 177.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.568 ' HD2' ' HB2' ' A' ' 35' ' ' LEU . 14.6 mmmm -81.82 123.56 28.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.982 0.42 . . . . 0.0 110.74 -178.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.415 HG23 HG23 ' A' ' 60' ' ' VAL . 66.2 mt -122.1 131.97 72.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.922 177.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.713 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -105.26 126.58 60.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 174.39 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.549 ' HA ' ' O ' ' A' ' 62' ' ' ILE . . . -135.89 140.96 44.49 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.57 -177.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.527 HG22 ' HB3' ' A' ' 39' ' ' GLU . 53.3 t -124.97 124.77 68.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.071 0.463 . . . . 0.0 111.019 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.638 HG22 ' HB3' ' A' ' 64' ' ' ALA . 29.1 p -107.64 112.39 25.08 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 174.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.578 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . . . -131.09 97.21 4.23 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.932 0.396 . . . . 0.0 111.427 -173.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.835 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 47.0 t -112.91 130.45 56.11 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.466 ' HB2' ' HB ' ' A' ' 67' ' ' THR . . . -92.62 -56.84 2.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.912 0.387 . . . . 0.0 110.398 -178.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.0 p -98.64 106.07 18.3 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.255 177.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.85 69.65 0.48 Allowed Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -175.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 m -63.22 -18.27 21.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -176.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.99 -34.52 68.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.011 0.434 . . . . 0.0 110.314 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -64.95 -39.14 93.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.204 177.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.552 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 2.2 m -56.17 -50.73 70.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.435 -177.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -80.1 -35.99 36.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.206 -176.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.7 tpt -68.35 -42.43 79.25 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.619 -0.433 . . . . 0.0 111.185 -177.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.3 -44.49 95.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.702 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.67 99.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.158 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -66.34 -49.26 67.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.33 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.7 -42.74 90.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.986 0.422 . . . . 0.0 111.094 -177.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.7 tp -61.76 -47.11 86.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.948 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -64.61 -41.04 96.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.663 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -66.73 -37.9 85.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.37 -38.4 94.92 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.879 -0.676 . . . . 0.0 112.096 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.484 ' HA ' HD13 ' A' ' 96' ' ' ILE . . . -71.24 -39.19 71.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.74 0.305 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -69.65 -25.78 64.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.491 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -60.8 -27.88 68.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.171 0.51 . . . . 0.0 110.325 176.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.5 mmt -99.82 12.14 37.47 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.68 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.03 55.11 29.96 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.538 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -122.92 167.09 14.01 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.719 0.295 . . . . 0.0 110.583 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.568 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 91.9 mt -112.94 94.16 4.77 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.3 tt -105.31 143.05 17.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.708 -176.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.44 ' HB3' HD22 ' A' ' 50' ' ' LEU . 61.1 mmtt -115.51 105.17 12.49 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.163 174.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.9 t -97.09 120.87 46.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.644 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.636 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 35.3 tt0 -95.66 134.6 38.38 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 176.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.941 ' HB ' ' HB2' ' A' ' 47' ' ' GLU . 13.7 m -112.89 93.31 4.36 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 120.978 0.418 . . . . 0.0 110.329 -176.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.578 ' HB3' ' HB2' ' A' ' 10' ' ' ALA . 53.0 tt0 -90.19 106.44 18.49 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.212 0.53 . . . . 0.0 110.69 -177.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.33 68.98 3.22 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.273 176.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.525 ' HA ' HG21 ' A' ' 67' ' ' THR . . . 70.82 -77.09 0.06 Allowed 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 123.546 0.739 . . . . 0.0 111.051 179.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.7 m -106.0 -28.67 10.41 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.903 0.383 . . . . 0.0 110.557 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -87.05 159.42 31.27 Favored Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 -177.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 77.0 mt -131.3 115.56 29.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 117.006 0.403 . . . . 0.0 111.311 -176.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.941 ' HB2' ' HB ' ' A' ' 40' ' ' THR . 60.8 mm-40 -84.66 140.98 30.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.779 172.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.445 ' HB3' ' O ' ' A' ' 47' ' ' GLU . 37.4 t30 76.18 -62.21 0.43 Allowed 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.971 0.795 . . . . 0.0 111.358 176.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 66.6 110.42 0.04 OUTLIER 'General case' 0 C--O 1.235 0.33 0 O-C-N 123.749 0.656 . . . . 0.0 110.953 -177.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.636 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 65.4 mt -64.74 119.79 11.25 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.343 -176.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.39 147.99 48.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.344 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -57.04 -41.28 78.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.597 -177.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -60.36 -41.48 93.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.168 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -72.16 -38.57 69.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.095 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.511 ' HA ' HG21 ' A' ' 6' ' ' ILE . 57.3 t -61.75 -45.06 99.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.643 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -75.08 -28.11 60.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.787 -175.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.2 mm -87.35 -29.49 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.948 0.404 . . . . 0.0 110.637 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.01 130.31 50.83 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.385 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.689 ' HG3' ' HE ' ' A' ' 3' ' ' ARG . 7.2 mm-40 -81.43 -72.5 0.42 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.113 0.482 . . . . 0.0 110.983 -177.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.713 ' HA ' HG13 ' A' ' 79' ' ' VAL . 22.2 m -95.14 144.27 10.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.644 -176.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.572 HG22 HD11 ' A' ' 6' ' ' ILE . 11.6 t -110.23 118.8 57.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.954 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.549 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 77.6 mt -108.2 133.79 52.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.463 -178.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.593 ' HB2' ' HG3' ' A' ' 82' ' ' GLU . 79.5 m-85 -123.51 134.29 53.9 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.96 0.41 . . . . 0.0 110.902 176.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.664 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -129.74 92.12 3.27 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 172.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.574 HG12 ' HB3' ' A' ' 10' ' ' ALA . 28.4 m -130.99 150.51 34.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -166.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.835 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 7.0 t70 -106.17 -31.35 8.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 113.983 -1.462 . . . . 0.0 108.805 173.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.525 HG21 ' HA ' ' A' ' 43' ' ' ALA . 15.0 t -118.09 -171.55 2.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.174 178.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -78.66 167.22 21.55 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.355 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.763 ' HB ' ' HB2' ' A' ' 72' ' ' LYS . 18.1 t -114.0 140.03 36.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -177.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -81.75 -56.84 3.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.247 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.496 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 89.2 m-20 -74.69 -7.13 52.32 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -175.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.763 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 85.6 tttt -52.86 -27.38 18.16 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.928 0.395 . . . . 0.0 111.323 179.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -52.1 -34.44 44.12 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -178.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 71' ' ' ASN . 9.9 ptp180 -81.37 -7.58 59.6 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -175.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.615 ' CE1' HG13 ' A' ' 6' ' ' ILE . 30.9 m-85 -98.16 20.99 11.46 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 122.199 -0.313 . . . . 0.0 110.776 177.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -56.34 -42.0 77.02 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.614 -175.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -104.73 15.42 48.92 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.771 -178.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.561 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 26.2 mtpp -107.29 162.35 13.98 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -177.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.713 HG13 ' HA ' ' A' ' 60' ' ' VAL . 3.2 p -74.44 117.03 17.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.289 0.566 . . . . 0.0 110.656 -175.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 85.1 t -108.88 121.53 62.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.841 -172.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.634 HD23 HD11 ' A' ' 102' ' ' LEU . 3.2 tm? -119.02 109.45 15.95 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 173.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.593 ' HG3' ' HB2' ' A' ' 63' ' ' PHE . 34.4 tt0 -115.17 132.08 56.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.11 -174.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 24.2 m -135.14 167.28 23.45 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.911 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.407 ' HD2' ' HB ' ' A' ' 83' ' ' VAL . 35.0 Cg_exo -61.06 153.1 66.73 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.473 2.115 . . . . 0.0 111.529 174.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.664 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 9.0 p -66.74 -24.26 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.132 0.492 . . . . 0.0 111.255 -174.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 p -75.45 -22.81 57.01 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.412 ' N ' ' HD2' ' A' ' 88' ' ' PRO . . . -65.61 -52.24 45.06 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -171.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 87' ' ' ALA . 59.3 Cg_endo -69.54 -3.7 12.38 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.133 1.888 . . . . 0.0 113.458 -173.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 64.2 mt -72.58 -44.48 60.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.411 0.624 . . . . 0.0 109.7 176.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -97.25 -49.42 4.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.151 177.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.589 ' O ' HG23 ' A' ' 95' ' ' VAL . 5.1 m-20 -95.66 36.35 1.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.961 -171.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.15 -49.17 67.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.595 0.236 . . . . 0.0 111.299 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -64.92 -36.06 83.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.809 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.565 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 17.7 tppt? -65.9 -45.09 83.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.132 -179.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 91' ' ' ASP . 57.8 t -61.31 -45.19 99.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.842 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.484 HD13 ' HA ' ' A' ' 29' ' ' ALA . 79.5 mt -64.15 -50.56 76.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.742 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -59.72 -41.78 91.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.036 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.548 ' O ' ' HG ' ' A' ' 102' ' ' LEU . . . -60.71 -39.49 88.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.074 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.25 -48.93 77.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.805 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.17 -31.37 71.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.031 0.443 . . . . 0.0 110.735 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.898 ' HA ' ' HA ' ' A' ' 105' ' ' GLU . . . -66.45 -17.85 65.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.624 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.634 HD11 HD23 ' A' ' 81' ' ' LEU . 85.4 mt -80.04 -19.32 47.89 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.703 0.287 . . . . 0.0 111.373 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 28.4 pt -117.29 -41.13 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -177.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -119.1 -21.75 7.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.604 0.24 . . . . 0.0 111.5 -175.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.898 ' HA ' ' HA ' ' A' ' 101' ' ' ALA . 39.2 mt-10 66.91 87.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.576 -176.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.478 ' HD2' ' HA ' ' A' ' 106' ' ' LYS . 7.6 tptp . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.203 -0.903 . . . . 0.0 109.771 172.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.3 ttm . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.831 0.348 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.631 ' HE2' HD21 ' A' ' 35' ' ' LEU . 56.3 mtpt 52.1 78.04 0.14 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.133 -175.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.463 ' HD2' ' HA ' ' A' ' 3' ' ' ARG . 13.0 tpt180 -88.18 169.45 11.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.657 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -111.26 125.99 54.41 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -178.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 66.8 mt -137.14 131.75 46.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.641 0.258 . . . . 0.0 111.314 -178.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.634 ' HB ' HD13 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -110.78 130.24 64.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 171.401 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.55 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -142.06 126.54 17.78 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.798 0.332 . . . . 0.0 111.15 -174.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.403 ' HA ' ' HB3' ' A' ' 39' ' ' GLU . 38.8 t -95.89 118.16 41.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.024 177.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.498 HG22 ' HB3' ' A' ' 64' ' ' ALA . 19.4 p -117.34 113.77 22.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.915 178.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.627 ' O ' ' HA ' ' A' ' 65' ' ' VAL . . . -160.04 160.66 33.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.849 0.357 . . . . 0.0 111.096 -176.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.648 ' SG ' ' HB2' ' A' ' 17' ' ' HIS . 24.9 p -157.83 142.16 16.13 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.314 178.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.521 ' HB2' ' HB ' ' A' ' 67' ' ' THR . . . -90.54 -32.46 16.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.256 0.551 . . . . 0.0 109.837 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.5 p -111.87 133.85 53.8 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.1 175.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.18 58.66 5.01 Favored Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -175.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.1 m -59.98 -16.95 12.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -169.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.46 -26.56 66.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.93 0.395 . . . . 0.0 110.909 176.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.648 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 37.0 m80 -64.64 -36.65 84.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.066 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.602 HG23 ' HA ' ' A' ' 10' ' ' ALA . 27.3 m -57.91 -37.87 74.82 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 121.096 0.474 . . . . 0.0 111.255 -177.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -90.69 -43.87 9.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.813 -174.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.4 tpt -64.67 -42.05 95.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 -178.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.457 ' HB1' ' HG2' ' A' ' 88' ' ' PRO . . . -63.51 -47.07 83.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.309 -177.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.58 -41.96 95.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.408 -178.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -71.47 -42.15 68.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.382 -178.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.66 -39.1 80.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.968 0.413 . . . . 0.0 110.382 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.5 tp -64.62 -40.21 95.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.781 175.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -59.05 -43.71 91.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.01 175.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -59.57 -47.42 85.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.62 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.74 -43.31 99.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.959 178.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.524 ' HA ' HD21 ' A' ' 34' ' ' ASN . . . -63.7 -37.88 89.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.924 0.392 . . . . 0.0 110.92 178.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -65.89 -38.92 90.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.288 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -65.58 -49.81 67.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.845 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 85.7 mtp -70.15 -24.37 63.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.539 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 2' ' ' LYS . . . 83.56 62.59 1.77 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.44 175.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.533 ' HA ' ' HA ' ' A' ' 2' ' ' LYS . 9.7 p30 -135.55 177.3 7.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.731 0.3 . . . . 0.0 110.589 176.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.631 HD21 ' HE2' ' A' ' 2' ' ' LYS . 2.8 mm? -107.47 109.96 21.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.367 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.6 tt -114.93 141.21 32.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 121.338 0.589 . . . . 0.0 111.308 -175.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.483 ' HB3' HD22 ' A' ' 50' ' ' LEU . 7.0 mmtm -115.8 101.66 9.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.391 175.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.55 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 15.2 m -93.91 127.23 46.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.111 0.481 . . . . 0.0 110.831 -179.169 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.521 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 28.5 tt0 -95.32 146.51 24.32 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.853 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.6 m -127.07 119.55 26.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.757 -174.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -124.14 136.96 54.58 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.36 -60.21 1.94 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.349 -0.929 . . . . 0.0 111.961 177.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -143.29 -39.42 0.32 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.964 0.411 . . . . 0.0 110.258 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.2 t -148.95 -18.64 0.3 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.506 175.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.79 130.05 10.12 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.015 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 68.2 mt -99.71 127.54 52.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -92.98 -54.51 3.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.485 -177.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -95.77 74.67 3.15 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -65.82 124.6 22.89 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.558 -176.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.634 HD13 ' HB ' ' A' ' 6' ' ' ILE . 73.2 mt -80.61 111.26 16.88 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 174.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.54 ' O ' HG23 ' A' ' 55' ' ' VAL . 75.9 p -91.19 173.77 7.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.511 -174.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -48.71 -46.14 40.31 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.589 0.556 . . . . 0.0 110.982 -178.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.546 ' O ' HG12 ' A' ' 57' ' ' ILE . 5.4 tmmm? -57.67 -50.52 72.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.036 -179.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -63.44 -45.05 92.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.384 0.612 . . . . 0.0 110.528 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 51' ' ' THR . 89.7 t -61.21 -42.32 92.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 114.922 -1.035 . . . . 0.0 112.13 -174.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -78.13 -20.5 51.99 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.795 0.295 . . . . 0.0 111.795 -176.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.546 HG12 ' O ' ' A' ' 53' ' ' LYS . 42.6 mm -80.52 -42.51 21.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 176.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.43 135.56 42.16 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.859 -0.61 . . . . 0.0 113.133 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -76.91 -64.58 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.231 0.539 . . . . 0.0 110.141 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.419 HG13 HD13 ' A' ' 103' ' ' ILE . 17.7 m -107.53 151.76 9.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.036 -177.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.632 ' HB ' HG12 ' A' ' 80' ' ' VAL . 8.4 t -115.04 114.42 46.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.193 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 69.8 mt -100.41 131.79 47.28 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.08 179.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.402 ' HB2' ' HG2' ' A' ' 82' ' ' GLU . 73.3 m-85 -115.01 111.67 21.49 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.639 178.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.674 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -118.38 90.21 3.29 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 172.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.627 ' HA ' ' O ' ' A' ' 10' ' ' ALA . 12.3 m -141.32 141.07 31.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.469 0.652 . . . . 0.0 112.736 -169.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.551 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 9.8 t70 -97.33 -20.24 17.98 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.944 -1.026 . . . . 0.0 108.84 170.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.521 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 4.2 t -111.89 154.38 25.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.445 177.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -78.03 160.81 27.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.131 0.491 . . . . 0.0 110.678 -176.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.481 HG23 ' HB2' ' A' ' 72' ' ' LYS . 21.6 m -118.66 153.28 20.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.562 -178.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.514 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 15.7 ttt180 -90.99 -44.14 9.51 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.218 174.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.49 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 96.5 m-20 -60.16 -7.74 2.06 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -170.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.493 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 26.2 ttpp -51.39 -24.16 4.53 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 122.514 0.326 . . . . 0.0 110.6 174.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 12.3 mt-10 -41.16 -47.48 3.27 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.283 0.633 . . . . 0.0 111.656 175.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.517 ' HG3' HG11 ' A' ' 55' ' ' VAL . 6.4 ptp180 -87.9 -25.67 23.13 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.675 -173.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.493 ' HD2' ' HA ' ' A' ' 72' ' ' LYS . 23.8 m-85 -84.7 -10.59 57.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.679 0.276 . . . . 0.0 110.94 178.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.95 -27.51 66.85 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.57 -176.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.43 22.08 31.5 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.071 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.479 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 28.8 mtpp -122.9 178.4 5.06 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -178.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 44.8 t -90.22 111.63 23.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.632 HG12 ' HB ' ' A' ' 61' ' ' VAL . 2.4 m -117.77 161.84 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.208 0.528 . . . . 0.0 111.157 -176.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.557 HD23 HD11 ' A' ' 102' ' ' LEU . 3.1 tm? -143.43 115.49 8.36 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 176.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.402 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 45.1 mt-10 -97.16 133.52 41.69 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.99 0.424 . . . . 0.0 111.313 -176.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 12.4 m -140.01 163.28 45.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.091 177.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -60.79 146.16 97.83 Favored 'Trans proline' 0 CA--C 1.527 0.138 0 C-N-CA 122.451 2.1 . . . . 0.0 111.15 173.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.674 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 13.0 p -63.67 -26.43 40.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-O 121.032 0.444 . . . . 0.0 111.498 -176.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.7 m -74.96 -19.75 59.97 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.405 ' N ' ' HD2' ' A' ' 88' ' ' PRO . . . -63.15 -53.65 52.51 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -174.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.566 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 41.0 Cg_endo -66.94 -6.37 15.71 Favored 'Trans proline' 0 C--N 1.357 1.014 0 C-N-CA 122.057 1.838 . . . . 0.0 113.002 -177.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 70.4 mt -72.29 -49.59 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.974 0.416 . . . . 0.0 110.134 176.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -96.4 -40.63 9.01 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.579 -178.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.444 ' O ' HG23 ' A' ' 95' ' ' VAL . 38.2 t0 -123.08 40.7 3.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.385 0.612 . . . . 0.0 111.115 -166.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 88' ' ' PRO . . . -54.43 -41.45 69.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.2 -177.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.71 -41.26 98.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.784 -174.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -69.3 -36.07 76.65 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.113 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 91' ' ' ASP . 57.7 t -61.42 -43.33 96.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.384 177.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 85.0 mt -62.9 -47.37 93.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.817 177.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -61.47 -38.98 89.25 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.951 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.79 -40.08 82.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.928 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.03 -39.43 79.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.682 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.76 -31.76 72.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.783 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.599 ' HA ' ' HA ' ' A' ' 105' ' ' GLU . . . -69.06 -17.65 63.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.453 179.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.557 HD11 HD23 ' A' ' 81' ' ' LEU . 86.9 mt -83.18 -25.8 31.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.716 0.293 . . . . 0.0 111.171 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.419 HD13 HG13 ' A' ' 60' ' ' VAL . 25.9 pt -101.92 -46.2 11.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -177.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.42 ' OD2' ' HG3' ' A' ' 106' ' ' LYS . 21.0 t70 -117.82 -16.23 9.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.868 0.366 . . . . 0.0 111.146 -174.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.599 ' HA ' ' HA ' ' A' ' 101' ' ' ALA . 34.8 mt-10 65.13 53.82 1.3 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.794 -174.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.42 ' HG3' ' OD2' ' A' ' 104' ' ' ASP . 54.5 mttp . . . . . 0 C--O 1.242 0.674 0 CA-C-O 118.546 -0.74 . . . . 0.0 109.654 172.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.8 mtp . . . . . 0 N--CA 1.483 1.216 0 CA-C-O 120.772 0.32 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.609 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 55.2 mttp -71.37 98.89 1.86 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.31 -179.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.1 148.26 36.16 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 176.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -92.21 118.93 31.35 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.405 HG12 ' CG2' ' A' ' 60' ' ' VAL . 53.3 mt -127.0 126.75 68.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.136 -176.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.665 HG13 ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -106.22 123.27 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 171.29 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.474 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -130.87 138.43 49.82 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 -174.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.7 t -120.58 119.62 60.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.967 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.632 HG22 ' HB3' ' A' ' 64' ' ' ALA . 17.6 p -102.98 120.32 40.43 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.111 176.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.688 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . . . -137.14 161.16 36.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.764 -175.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 1.017 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 45.0 t -154.86 152.41 29.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.225 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.609 ' HB2' ' HB ' ' A' ' 67' ' ' THR . . . -111.92 -17.27 12.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.952 0.406 . . . . 0.0 110.789 178.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 p -100.07 -87.08 0.37 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.372 -177.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.13 112.94 4.49 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.499 177.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 49.9 t -58.43 -34.15 49.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.716 0.293 . . . . 0.0 111.48 -175.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.84 -21.59 57.06 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -177.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -63.87 -29.3 70.5 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 121.175 -0.21 . . . . 0.0 111.156 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.1 p -62.28 -52.64 62.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.928 0.394 . . . . 0.0 110.962 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -59.93 -45.66 91.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.871 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.8 ttt -59.03 -47.31 85.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.974 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.654 ' HA ' HG12 ' A' ' 89' ' ' ILE . . . -61.41 -46.91 88.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.525 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.14 -46.43 88.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.362 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -63.52 -47.9 79.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.492 -178.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.457 ' O ' ' HB3' ' A' ' 27' ' ' LYS . . . -68.95 -38.57 79.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.014 0.435 . . . . 0.0 110.988 -177.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.9 tp -64.52 -46.97 80.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.829 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -66.27 -28.83 69.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.441 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 24' ' ' ALA . 53.1 tptt -57.42 -50.72 72.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.368 175.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.6 -36.58 92.62 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.281 -178.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.7 95.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.672 0.272 . . . . 0.0 110.836 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -69.75 -34.86 74.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.949 0.404 . . . . 0.0 110.374 178.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.1 tttm -60.39 -37.6 81.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.978 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 79.0 mtm -96.97 -14.97 21.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.505 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.57 52.82 2.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 0.0 113.11 176.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.583 ' HA ' ' HA ' ' A' ' 2' ' ' LYS . 51.2 m-80 -119.91 172.2 7.89 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.754 0.311 . . . . 0.0 110.668 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.609 ' HG ' ' HB3' ' A' ' 2' ' ' LYS . 90.3 mt -112.71 115.15 28.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.922 178.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.0 tt -127.11 139.38 52.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.261 0.553 . . . . 0.0 110.994 -175.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -115.43 102.13 9.54 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.786 175.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 16.4 t -99.82 124.22 53.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.498 -178.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.787 ' HG3' ' H ' ' A' ' 49' ' ' GLU . 26.8 tt0 -95.56 141.8 28.64 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.215 175.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.468 ' HB ' ' HB3' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -96.81 98.42 10.12 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 177.683 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.688 ' HB3' ' HB2' ' A' ' 10' ' ' ALA . 3.4 tt0 -95.11 90.02 5.76 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 177.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.31 -70.38 1.0 Allowed Glycine 0 C--N 1.33 0.228 0 CA-C-N 114.72 -1.127 . . . . 0.0 113.359 -167.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -129.29 69.11 1.41 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.1 m 62.97 17.98 10.51 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.785 0.802 . . . . 0.0 109.713 -174.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.481 ' O ' ' HA ' ' A' ' 41' ' ' GLN . . . -126.09 154.53 18.9 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.255 -178.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.659 HD11 ' HB2' ' A' ' 70' ' ' ARG . 22.5 mm -92.16 140.57 15.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -170.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.468 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 19.1 tt0 -117.47 -62.06 1.62 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.04 0.447 . . . . 0.0 110.475 172.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.607 ' HB3' ' HA ' ' A' ' 39' ' ' GLU . 7.4 t30 -74.98 -49.72 19.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.418 -175.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.787 ' H ' ' HG3' ' A' ' 39' ' ' GLU . 38.1 tt0 71.74 123.12 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 O-C-N 124.07 0.856 . . . . 0.0 111.772 -178.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.464 HD13 ' HB ' ' A' ' 6' ' ' ILE . 81.3 mt -95.98 116.4 28.88 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.45 174.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.487 ' O ' HG23 ' A' ' 55' ' ' VAL . 82.3 p -77.27 171.79 14.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.93 -175.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.495 ' OE2' ' HG2' ' A' ' 53' ' ' LYS . 0.9 OUTLIER -56.92 -45.17 82.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 -179.158 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.495 ' HG2' ' OE2' ' A' ' 52' ' ' GLU . 32.1 mmtm -53.06 -53.56 48.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.351 175.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -53.2 -48.0 68.44 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 -178.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 51' ' ' THR . 89.0 t -59.81 -44.56 94.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.015 -177.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -83.35 -14.6 52.5 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.645 0.259 . . . . 0.0 111.648 -175.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 53' ' ' LYS . 88.4 mt -84.24 -47.41 17.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 173.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.533 ' HA3' HG23 ' A' ' 6' ' ' ILE . . . -59.79 131.96 50.93 Favored Glycine 0 C--N 1.332 0.329 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.451 178.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -90.1 -56.16 3.33 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.776 0.322 . . . . 0.0 110.278 -176.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.535 ' HA ' HG13 ' A' ' 79' ' ' VAL . 22.1 m -101.57 144.33 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.736 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.59 HG22 HD11 ' A' ' 6' ' ' ILE . 39.5 t -109.57 125.37 66.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.954 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.3 mt -116.71 119.72 62.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.866 0.365 . . . . 0.0 110.38 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -106.74 110.04 22.11 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.983 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.682 ' HB2' ' HG3' ' A' ' 88' ' ' PRO . . . -106.6 91.1 3.54 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 172.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.587 HG12 ' HB3' ' A' ' 10' ' ' ALA . 18.4 m -135.1 155.39 37.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -168.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 1.017 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 38.1 t70 -112.6 14.64 20.15 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.399 -1.273 . . . . 0.0 108.762 175.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.609 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 15.0 t -171.9 -165.04 0.34 Allowed 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.573 -178.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -73.87 177.34 5.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 111.283 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.479 ' CG1' HG11 ' A' ' 65' ' ' VAL . 28.6 m -134.9 154.23 36.17 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 CA-C-O 121.25 0.548 . . . . 0.0 111.163 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.659 ' HB2' HD11 ' A' ' 46' ' ' ILE . 19.2 mmt180 -90.22 -21.41 22.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.789 176.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.603 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 24.8 m-80 -82.75 -8.61 59.58 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -174.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.453 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 29.0 tptp -59.82 -24.55 64.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.913 0.387 . . . . 0.0 110.391 -177.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -55.12 -42.28 72.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.799 178.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' A' ' 71' ' ' ASN . 9.5 ptp180 -92.32 -16.92 25.41 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -169.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.802 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 17.7 m-85 -92.67 46.46 1.24 Allowed 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.223 -0.298 . . . . 0.0 110.844 178.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.402 ' CG ' ' H ' ' A' ' 77' ' ' GLY . 3.1 p-10 -61.07 -80.77 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.928 -177.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.402 ' H ' ' CG ' ' A' ' 76' ' ' ASP . . . -86.26 47.98 3.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.095 -0.574 . . . . 0.0 111.759 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.802 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 28.2 mtpp -126.93 159.54 33.69 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -178.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.535 HG13 ' HA ' ' A' ' 60' ' ' VAL . 4.0 p -82.45 117.01 27.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.285 0.564 . . . . 0.0 110.656 -176.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.505 ' HA ' ' HB ' ' A' ' 61' ' ' VAL . 90.4 t -111.52 119.13 59.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.293 -176.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.641 HD23 HD11 ' A' ' 102' ' ' LEU . 3.2 tm? -109.6 107.87 18.1 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 174.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -102.9 135.62 44.24 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.081 -176.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 18.6 m -139.92 158.77 66.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.666 177.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.443 ' HG2' ' HB2' ' A' ' 87' ' ' ALA . 19.4 Cg_endo -60.37 149.28 86.85 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 121.898 1.732 . . . . 0.0 110.637 171.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.7 p -56.22 -30.96 31.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -174.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.491 ' HA ' HD12 ' A' ' 89' ' ' ILE . 32.3 t -75.5 -20.14 58.94 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.443 ' HB2' ' HG2' ' A' ' 84' ' ' PRO . . . -64.58 -54.58 35.73 Favored Pre-proline 0 CA--C 1.538 0.483 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -171.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.682 ' HG3' ' HB2' ' A' ' 64' ' ' ALA . 64.6 Cg_endo -70.72 -4.25 14.3 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 122.094 1.863 . . . . 0.0 112.712 -175.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.654 HG12 ' HA ' ' A' ' 21' ' ' ALA . 60.1 mt -79.22 -38.36 20.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.42 0.629 . . . . 0.0 109.65 176.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -95.94 -48.98 5.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.089 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.64 ' HB3' ' HB3' ' A' ' 94' ' ' LYS . 53.9 m-20 -105.19 41.96 1.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.45 -173.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.22 -49.48 63.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.592 0.234 . . . . 0.0 111.55 -176.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -59.09 -43.23 91.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.166 0.508 . . . . 0.0 110.195 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.64 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 62.2 tttm -71.1 -38.37 72.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.642 -172.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 91' ' ' ASP . 99.8 t -64.08 -44.57 97.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.505 177.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 76.2 mt -64.22 -44.67 97.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.643 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -62.75 -41.41 99.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.276 178.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.482 ' O ' ' HG ' ' A' ' 102' ' ' LEU . . . -59.87 -42.37 93.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.226 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.53 93.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.814 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 80.5 mt -69.72 -35.24 74.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.635 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.19 -18.57 64.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.668 -179.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.641 HD11 HD23 ' A' ' 81' ' ' LEU . 80.3 mt -76.78 -32.58 57.78 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.354 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 104' ' ' ASP . 28.7 pt -105.56 -42.05 6.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -176.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.459 ' N ' HG13 ' A' ' 103' ' ' ILE . 22.9 t70 -103.8 -23.32 13.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.79 0.329 . . . . 0.0 110.409 -175.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 62.56 85.13 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.478 177.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm . . . . . 0 C--O 1.244 0.795 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.358 177.281 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.484 1.23 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 94.2 mttt 56.05 37.78 29.21 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.394 0.434 . . . . 0.0 111.211 173.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.406 ' NH1' ' HG3' ' A' ' 59' ' ' GLU . 4.3 tpt85 -63.62 128.63 36.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.476 -174.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp -82.46 120.31 25.3 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.876 -177.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 75.4 mt -139.07 134.79 41.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.879 0.371 . . . . 0.0 111.506 -176.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.702 HD11 HG22 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -115.89 135.83 54.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 169.864 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -135.66 130.76 34.82 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 122.333 -0.23 . . . . 0.0 110.454 -176.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.2 t -107.95 113.3 43.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.207 0.527 . . . . 0.0 110.774 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.427 HG22 ' HB3' ' A' ' 64' ' ' ALA . 22.6 p -102.38 118.16 36.28 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.564 175.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.758 ' HB3' HG12 ' A' ' 65' ' ' VAL . . . -139.3 127.22 22.2 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.883 0.373 . . . . 0.0 111.311 -175.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.55 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 41.5 t -158.28 130.79 7.09 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.19 -36.96 34.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.06 0.457 . . . . 0.0 110.494 -178.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.4 p -96.46 125.11 40.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.169 -177.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.39 74.21 0.92 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.192 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.9 t -56.91 -34.85 45.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.912 0.386 . . . . 0.0 111.209 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.76 -29.02 69.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.69 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -73.52 -41.25 63.29 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.55 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 5.9 m -57.57 -50.46 73.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.484 176.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -68.66 -32.27 71.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.006 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.497 ' HA ' HE21 ' A' ' 23' ' ' GLN . 24.8 ttt -62.92 -45.77 90.94 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.106 -0.237 . . . . 0.0 110.591 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.95 -37.76 83.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.081 0.467 . . . . 0.0 110.155 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.642 ' HA ' HG11 ' A' ' 38' ' ' VAL . . . -64.68 -49.58 70.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.473 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.497 HE21 ' HA ' ' A' ' 20' ' ' MET . 28.4 pt20 -73.21 -29.28 62.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.136 -178.113 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.86 -46.01 72.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.929 0.395 . . . . 0.0 110.127 176.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.594 HD21 ' HB3' ' A' ' 88' ' ' PRO . 62.8 mt -61.55 -44.1 97.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.136 175.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -58.76 -37.9 77.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.148 0.499 . . . . 0.0 110.136 176.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -67.1 -52.59 39.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.22 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.7 -48.67 83.67 Favored Glycine 0 CA--C 1.518 0.275 0 CA-C-N 115.955 -0.566 . . . . 0.0 113.239 -176.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.86 -32.94 74.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.736 0.303 . . . . 0.0 111.338 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.409 ' HB2' ' NZ ' ' A' ' 30' ' ' LYS . 4.8 ttmp? -69.14 -37.62 78.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.005 0.431 . . . . 0.0 110.271 177.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -60.43 -41.48 94.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.406 177.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 84.6 mtp -74.85 -24.41 58.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.257 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.91 57.88 1.46 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.063 -0.589 . . . . 0.0 111.762 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -128.76 177.66 6.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.825 0.345 . . . . 0.0 111.213 -173.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 mp -114.36 107.84 16.11 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 176.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.464 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 15.3 tt -125.79 134.39 66.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.38 0.609 . . . . 0.0 111.3 -173.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -116.63 104.24 11.19 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.072 173.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.642 HG11 ' HA ' ' A' ' 22' ' ' ALA . 17.6 t -94.55 125.32 47.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.026 -178.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.67 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 29.8 tt0 -96.29 132.19 42.03 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.959 177.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.92 ' HB ' ' HB3' ' A' ' 47' ' ' GLU . 13.9 m -108.16 102.28 11.44 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.522 ' O ' ' HA ' ' A' ' 10' ' ' ALA . 4.5 tt0 -103.92 110.74 22.99 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -178.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.69 -111.75 3.57 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.369 -0.919 . . . . 0.0 112.734 -174.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.72 81.46 5.81 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.581 0.229 . . . . 0.0 110.603 -175.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.7 p 51.97 22.94 1.96 Allowed 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.624 0.77 . . . . 0.0 111.784 -177.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -139.34 150.44 21.31 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 178.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -110.49 130.35 63.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 C-N-CA 120.404 -0.519 . . . . 0.0 110.849 -173.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.92 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 8.3 tp10 -79.74 -49.17 12.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.382 0.611 . . . . 0.0 109.476 177.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -130.21 79.4 1.9 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.661 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -74.32 125.17 27.88 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.269 0.557 . . . . 0.0 111.249 -177.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.67 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 70.8 mt -76.07 149.54 37.46 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.359 -179.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.8 p -106.78 172.72 6.66 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.056 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -59.12 -42.34 90.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.825 0.345 . . . . 0.0 111.166 -174.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.19 -39.45 82.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.317 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -67.71 -42.95 81.18 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.745 0.783 . . . . 0.0 109.738 -177.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.121 HG21 ' HD2' ' A' ' 74' ' ' ARG . 72.5 t -62.36 -44.15 98.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 114.333 -1.303 . . . . 0.0 111.811 -177.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -78.66 -11.8 59.99 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.401 -175.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 68.9 mt -88.31 -42.69 15.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.109 173.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.504 ' HA3' HD12 ' A' ' 6' ' ' ILE . . . -59.2 130.63 50.97 Favored Glycine 0 CA--C 1.521 0.406 0 C-N-CA 121.25 -0.5 . . . . 0.0 113.214 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.406 ' HG3' ' NH1' ' A' ' 3' ' ' ARG . 9.2 mm-40 -75.65 -55.05 6.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.997 0.427 . . . . 0.0 110.356 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.2 m -117.93 152.34 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.654 -179.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.702 HG22 HD11 ' A' ' 6' ' ' ILE . 8.2 t -117.32 121.88 68.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.31 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.9 mp -101.34 131.85 48.3 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -115.13 117.45 30.58 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.98 0.419 . . . . 0.0 110.995 178.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.712 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -114.94 90.16 3.27 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 170.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.758 HG12 ' HB3' ' A' ' 10' ' ' ALA . 22.2 m -132.91 135.61 56.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -167.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.523 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 0.8 OUTLIER -101.15 -23.27 14.49 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 113.999 -1.455 . . . . 0.0 109.277 172.813 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.3 t -125.2 -169.98 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.095 -177.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.444 ' HE2' ' HB3' ' A' ' 68' ' ' LYS . 28.3 ttpt -86.73 148.9 25.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.386 -178.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 72' ' ' LYS . 22.3 m -120.6 143.04 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.861 0.362 . . . . 0.0 110.164 176.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -76.77 -32.81 57.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.007 0.432 . . . . 0.0 111.177 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -82.35 -7.27 59.63 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -169.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.486 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 82.9 tttt -60.02 -23.15 63.45 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 177.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -41.02 -52.42 3.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.839 175.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 1.121 ' HD2' HG21 ' A' ' 55' ' ' VAL . 11.8 ptp180 -83.22 -32.63 26.41 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -178.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.486 ' HD2' ' HA ' ' A' ' 72' ' ' LYS . 24.6 m-85 -67.93 -8.47 37.12 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.82 0.343 . . . . 0.0 111.123 177.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.96 -42.57 85.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.761 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -96.4 41.13 2.44 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.825 -0.703 . . . . 0.0 111.928 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -140.11 176.43 8.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.726 0.298 . . . . 0.0 110.206 -178.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.491 HG11 HG23 ' A' ' 103' ' ' ILE . 59.3 t -92.67 118.9 39.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 178.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.616 HG12 ' HB ' ' A' ' 61' ' ' VAL . 2.8 m -127.09 161.21 34.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.304 0.574 . . . . 0.0 111.75 -174.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.636 HD23 HD11 ' A' ' 102' ' ' LEU . 3.3 tm? -133.94 108.51 8.45 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 174.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -107.62 124.68 50.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.036 -173.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.447 ' HB ' ' HD2' ' A' ' 84' ' ' PRO . 11.7 m -139.38 169.67 11.78 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.449 -178.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.447 ' HD2' ' HB ' ' A' ' 83' ' ' VAL . 33.4 Cg_exo -61.01 148.76 91.87 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.513 2.142 . . . . 0.0 111.244 173.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.712 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 11.8 p -61.53 -28.04 43.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -175.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.3 t -73.74 -24.27 59.86 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 120.756 0.312 . . . . 0.0 111.525 -178.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.609 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -63.51 -54.56 42.35 Favored Pre-proline 0 CA--C 1.539 0.54 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -173.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.677 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 15.7 Cg_exo -70.02 -1.29 8.44 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 122.253 1.968 . . . . 0.0 113.075 -176.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 38.2 mt -76.14 -45.0 36.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.854 0.359 . . . . 0.0 110.456 177.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -96.66 -26.86 15.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.534 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.542 ' O ' HG23 ' A' ' 95' ' ' VAL . 37.0 m-20 -121.78 40.76 3.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.482 -175.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.56 -49.39 65.03 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -176.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.2 mp0 -63.69 -37.8 88.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.826 0.346 . . . . 0.0 110.927 -178.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 38.3 ttpt -72.82 -34.63 66.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.406 -175.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 91' ' ' ASP . 84.8 t -64.66 -42.99 96.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.17 0.509 . . . . 0.0 109.994 176.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.509 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 94.9 mt -64.2 -48.18 86.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.663 177.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -60.63 -38.58 85.23 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.307 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.422 ' O ' ' HG ' ' A' ' 102' ' ' LEU . . . -63.57 -45.28 91.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.878 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.81 98.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.066 0.46 . . . . 0.0 111.032 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 91.6 mt -66.4 -35.78 81.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.182 -179.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.493 ' HA ' ' HA ' ' A' ' 105' ' ' GLU . . . -68.39 -21.37 64.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.536 -178.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.636 HD11 HD23 ' A' ' 81' ' ' LEU . 81.8 mt -65.92 -25.58 67.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.989 -178.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.491 HG23 HG11 ' A' ' 79' ' ' VAL . 29.5 pt -115.33 -32.68 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.684 179.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -145.88 -78.97 0.17 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.577 0.227 . . . . 0.0 110.966 -177.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 101' ' ' ALA . 27.4 tt0 173.01 -45.98 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -177.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt . . . . . 0 C--O 1.251 1.164 0 CA-C-N 114.782 -1.099 . . . . 0.0 108.967 -178.834 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ttt . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -70.28 116.61 10.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 0.0 110.59 177.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -140.56 131.81 26.58 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 172.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.701 ' HB3' ' HA2' ' A' ' 58' ' ' GLY . 43.3 mmtm -83.01 122.68 28.62 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 173.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 57.3 mt -129.55 114.18 30.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 110.477 -0.194 . . . . 0.0 110.477 -178.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.735 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -96.18 119.45 44.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.421 0.629 . . . . 0.0 109.503 174.718 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -127.18 130.13 49.15 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.786 -174.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.42 ' HB ' ' CD1' ' A' ' 63' ' ' PHE . 58.1 t -109.45 126.28 66.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.042 0.448 . . . . 0.0 110.536 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.569 HG22 ' HB3' ' A' ' 64' ' ' ALA . 18.8 p -115.51 122.77 46.73 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.835 177.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.444 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -145.39 97.51 3.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.739 0.304 . . . . 0.0 111.534 -179.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.937 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 41.8 t -108.8 125.93 52.49 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 176.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.75 -31.43 18.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.064 0.459 . . . . 0.0 110.154 178.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.2 m -62.11 -60.02 4.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.062 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.31 117.05 1.54 Allowed Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.474 -0.869 . . . . 0.0 112.329 -177.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.6 m -64.76 -18.92 24.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.064 0.459 . . . . 0.0 111.051 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.57 -31.56 72.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.582 175.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -72.21 -41.9 66.38 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.437 HG21 ' O ' ' A' ' 41' ' ' GLN . 20.3 m -58.43 -48.45 80.66 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.512 178.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -72.06 -41.9 66.89 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.958 -175.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 18.9 tpt -63.85 -43.1 97.16 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.15 -48.09 81.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.783 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.24 -34.61 76.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.083 -176.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -80.53 -42.01 23.17 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.151 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.46 -40.8 89.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.173 0.511 . . . . 0.0 110.339 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.2 tp -66.22 -37.26 85.13 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.446 177.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -63.99 -45.37 89.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.967 177.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -63.42 -39.0 93.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.068 176.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.76 -43.3 98.0 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.024 174.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.02 -41.12 97.54 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -59.13 -38.21 79.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.993 175.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -58.1 -42.85 86.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.683 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.649 ' HB2' ' ND2' ' A' ' 34' ' ' ASN . 90.4 mmm -95.36 3.67 54.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.982 -176.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.16 33.76 56.36 Favored Glycine 0 C--N 1.333 0.388 0 CA-C-N 116.014 -0.539 . . . . 0.0 113.431 174.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.649 ' ND2' ' HB2' ' A' ' 32' ' ' MET . 34.0 m-80 -97.03 170.76 8.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.11 0.481 . . . . 0.0 110.757 -178.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 mp -116.16 105.71 12.89 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 176.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.9 tt -103.27 140.51 21.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.487 0.66 . . . . 0.0 111.431 -171.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.808 ' HG3' HD22 ' A' ' 50' ' ' LEU . 9.5 tppt? -116.39 98.76 6.75 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 175.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 7.3 p -101.85 135.45 38.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.337 0.589 . . . . 0.0 111.691 -173.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.774 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 33.3 tt0 -109.38 125.65 52.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.655 176.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.564 ' OG1' ' HB3' ' A' ' 47' ' ' GLU . 0.9 OUTLIER -108.07 105.29 14.98 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.391 -178.599 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.466 ' HG2' HG12 ' A' ' 46' ' ' ILE . 31.7 mt-30 -104.61 -156.53 0.57 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 175.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 151.06 -88.9 0.13 Allowed Glycine 0 C--N 1.314 -0.681 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.464 173.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.45 83.43 2.45 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.557 0.217 . . . . 0.0 110.786 -178.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.0 m 73.48 -39.16 0.43 Allowed 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 176.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.01 157.43 15.58 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.8 -170.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.466 HG12 ' HG2' ' A' ' 41' ' ' GLN . 60.9 mt -118.37 131.24 71.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.564 ' HB3' ' OG1' ' A' ' 40' ' ' THR . 36.2 tt0 -80.99 -40.17 24.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.94 0.4 . . . . 0.0 111.242 -176.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.56 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 6.0 t30 -129.01 83.98 2.19 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 -178.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -69.08 119.8 13.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.739 -176.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.808 HD22 ' HG3' ' A' ' 37' ' ' LYS . 33.6 mt -82.05 118.2 22.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.965 177.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.477 ' O ' HG23 ' A' ' 55' ' ' VAL . 67.1 p -72.74 167.38 20.96 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -60.57 -26.64 67.09 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.539 ' O ' HG13 ' A' ' 57' ' ' ILE . 32.1 ttpt -67.26 -55.52 13.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.192 176.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.444 ' HB3' ' HG2' ' A' ' 37' ' ' LYS . 44.1 m-20 -55.81 -40.98 73.51 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.28 0.562 . . . . 0.0 110.662 -177.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.787 HG21 ' HG3' ' A' ' 74' ' ' ARG . 58.6 t -68.55 -34.93 68.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.317 -177.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -73.67 -26.71 60.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.699 0.285 . . . . 0.0 110.742 177.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.539 HG13 ' O ' ' A' ' 53' ' ' LYS . 76.3 mt -68.67 -47.78 74.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.137 176.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.701 ' HA2' ' HB3' ' A' ' 4' ' ' LYS . . . -63.37 138.26 43.17 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.985 -0.552 . . . . 0.0 113.321 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -80.56 -69.75 0.58 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.047 0.451 . . . . 0.0 109.932 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.0 m -97.84 148.61 5.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.087 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.625 ' HB ' HG12 ' A' ' 80' ' ' VAL . 31.1 t -110.82 136.99 45.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.994 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.5 mt -124.52 127.57 73.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 176.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.724 ' HB2' ' HG2' ' A' ' 82' ' ' GLU . 41.4 m-85 -112.14 107.67 16.67 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.914 179.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.685 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -107.92 90.41 3.29 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 172.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.0 m -132.47 145.95 33.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.712 0.768 . . . . 0.0 112.886 -170.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.937 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 19.5 t70 -108.19 -11.43 15.25 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.308 -1.315 . . . . 0.0 109.214 176.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.1 t -139.78 -170.75 3.0 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.416 178.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -74.3 146.78 42.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.221 0.534 . . . . 0.0 111.465 -176.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.3 p -109.53 118.26 56.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.094 174.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.497 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 12.9 ttm180 -74.52 -45.3 46.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.834 -175.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.409 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 10.9 m-20 -66.65 -6.18 14.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.479 -176.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.499 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 31.6 ttmt -50.09 -22.8 1.78 Allowed 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.212 0.32 . . . . 0.0 111.075 177.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 29.8 mt-10 -41.02 -47.41 3.06 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.756 176.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.787 ' HG3' HG21 ' A' ' 55' ' ' VAL . 8.2 ptp180 -85.57 -21.98 28.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.392 -175.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.809 ' HA ' ' HG3' ' A' ' 78' ' ' LYS . 55.9 m-85 -88.67 16.91 6.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.982 0.42 . . . . 0.0 110.309 176.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -82.26 -49.06 10.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.536 -173.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.15 46.08 3.22 Favored Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 173.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.809 ' HG3' ' HA ' ' A' ' 75' ' ' PHE . 12.0 mmmt -132.56 166.58 21.76 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 -174.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.8 p -96.4 108.68 21.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 176.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.625 HG12 ' HB ' ' A' ' 61' ' ' VAL . 2.2 m -116.81 153.24 18.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.184 0.516 . . . . 0.0 111.746 -172.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.526 HD23 HD11 ' A' ' 102' ' ' LEU . 1.9 tm? -129.59 115.87 18.04 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 173.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.724 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 42.3 mt-10 -104.55 134.73 47.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.257 0.551 . . . . 0.0 111.722 -173.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.442 ' HB ' ' HD2' ' A' ' 84' ' ' PRO . 17.4 m -142.9 164.64 30.95 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.511 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.546 ' HG2' ' HB2' ' A' ' 87' ' ' ALA . 23.0 Cg_endo -61.63 150.44 85.54 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.0 1.8 . . . . 0.0 110.92 171.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.685 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 8.8 p -64.63 -28.26 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.22 0.533 . . . . 0.0 110.894 -175.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.44 ' HA ' HD12 ' A' ' 89' ' ' ILE . 15.4 m -74.35 -18.89 60.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.762 -0.653 . . . . 0.0 112.486 -178.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.638 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -67.49 -57.72 9.84 Favored Pre-proline 0 CA--C 1.539 0.544 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -174.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.638 ' HD3' ' HB3' ' A' ' 87' ' ' ALA . 14.4 Cg_exo -68.54 0.48 4.72 Favored 'Trans proline' 0 C--N 1.359 1.119 0 C-N-CA 122.369 2.046 . . . . 0.0 113.043 -174.162 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 86' ' ' SER . 96.0 mt -72.61 -36.98 55.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 172.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -97.74 -64.9 1.0 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.886 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.834 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 11.9 p-10 -105.72 42.27 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.142 0.496 . . . . 0.0 111.654 -168.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' A' ' 88' ' ' PRO . . . -53.11 -35.39 59.61 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.859 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -59.15 -41.54 88.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.451 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.834 ' HD3' ' HB2' ' A' ' 91' ' ' ASP . 10.7 mtpt -66.27 -46.17 77.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.188 178.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 45.1 t -58.37 -40.92 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.856 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.591 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 82.2 mt -63.86 -50.5 77.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.706 179.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -63.35 -37.27 86.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.889 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.63 86.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.817 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.07 -42.08 66.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.605 177.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 79.3 mt -63.19 -38.85 92.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.641 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.11 -17.51 57.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.975 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.526 HD11 HD23 ' A' ' 81' ' ' LEU . 60.4 mt -73.85 -41.16 62.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.666 0.27 . . . . 0.0 111.321 -178.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 33.4 pt -98.09 -19.95 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.936 0.398 . . . . 0.0 111.362 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -96.56 -39.16 9.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.229 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 52.7 43.56 31.19 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.165 0.507 . . . . 0.0 110.743 -173.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 60.9 tttm . . . . . 0 C--O 1.25 1.088 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.037 -178.769 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.7 tpp . . . . . 0 N--CA 1.476 0.871 0 CA-C-O 121.039 0.447 . . . . 0.0 111.31 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -110.8 90.69 3.4 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 169.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 -65.34 119.32 10.74 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.392 -175.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.485 ' HE2' HD22 ' A' ' 35' ' ' LEU . 27.7 mmtp -79.16 109.83 13.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.436 177.326 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 62.9 mt -115.68 127.73 73.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.734 -177.041 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.729 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -104.48 129.8 56.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 174.474 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.455 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -135.02 141.1 46.11 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.842 0.353 . . . . 0.0 110.813 -175.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.549 ' HB ' ' CE1' ' A' ' 63' ' ' PHE . 64.1 t -128.88 132.11 67.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 177.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.532 HG21 ' HB2' ' A' ' 22' ' ' ALA . 4.0 t -124.91 135.38 52.81 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.744 177.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.613 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . . . -164.22 99.94 0.84 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.132 -173.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.473 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 42.0 t -94.52 -18.69 21.21 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 174.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.677 ' HB2' HG21 ' A' ' 67' ' ' THR . . . 64.2 -75.92 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.746 0.819 . . . . 0.0 112.02 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 m -62.43 -53.61 52.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.21 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.65 69.15 1.73 Allowed Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.789 -0.72 . . . . 0.0 111.357 175.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.409 HG22 ' HE2' ' A' ' 19' ' ' TYR . 12.8 p -58.66 -28.67 37.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 122.373 0.269 . . . . 0.0 111.624 -176.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.93 -30.7 71.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.066 0.46 . . . . 0.0 111.004 178.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -71.23 -32.59 68.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.815 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.8 m -58.38 -44.28 88.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.688 177.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.461 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 81.4 m-85 -71.84 -40.59 68.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.452 -177.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.3 tpt -61.78 -44.83 96.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.839 0.352 . . . . 0.0 110.755 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.96 -46.94 85.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.707 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.532 ' HB2' HG21 ' A' ' 9' ' ' THR . . . -57.79 -50.76 72.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.908 -178.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 19' ' ' TYR . 4.2 pt20 -66.91 -41.97 86.22 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.734 -175.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.32 -46.76 66.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.904 0.383 . . . . 0.0 110.79 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.0 tp -57.8 -47.02 83.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.092 177.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -68.38 -30.34 69.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.944 -177.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -64.4 -48.44 75.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.507 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.31 -29.37 71.91 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 121.081 -0.581 . . . . 0.0 112.481 -178.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.23 -44.49 91.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.663 0.268 . . . . 0.0 111.139 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -69.57 -31.31 69.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.414 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -58.62 -44.44 89.99 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.509 178.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.1 mmt -78.04 -5.17 50.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.246 -177.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.55 47.73 7.16 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.887 176.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -127.84 173.8 9.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.819 0.343 . . . . 0.0 110.61 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.485 HD22 ' HE2' ' A' ' 4' ' ' LYS . 9.7 mp -111.64 124.39 52.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.726 177.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.4 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 16.8 tt -127.23 140.3 49.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.114 0.483 . . . . 0.0 110.667 -176.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -116.61 103.43 10.38 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.448 176.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.455 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 19.2 t -101.82 122.05 53.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.904 0.383 . . . . 0.0 110.982 -176.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.682 ' OE1' ' HA ' ' A' ' 49' ' ' GLU . 29.4 tt0 -94.83 124.45 38.87 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.985 178.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.0 p -100.32 107.51 19.32 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.172 0.511 . . . . 0.0 110.412 176.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.735 ' HG3' HG12 ' A' ' 46' ' ' ILE . 6.8 tt0 -109.81 106.13 15.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.409 179.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.574 ' O ' ' HA ' ' A' ' 12' ' ' ALA . . . -87.31 -105.04 0.86 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.214 -176.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' A' ' 45' ' ' GLY . . . -118.94 89.13 3.07 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.1 m 71.12 -10.45 0.77 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.857 -176.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' A' ' 43' ' ' ALA . . . -107.87 110.31 3.13 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.85 -177.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.735 HG12 ' HG3' ' A' ' 41' ' ' GLN . 16.0 mt -99.92 131.11 47.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -104.21 21.46 16.5 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.944 -173.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -161.15 -68.28 0.06 Allowed 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 121.183 -0.207 . . . . 0.0 110.691 -179.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.682 ' HA ' ' OE1' ' A' ' 39' ' ' GLU . 31.4 tt0 61.35 97.84 0.03 OUTLIER 'General case' 0 C--O 1.237 0.422 0 O-C-N 123.9 0.75 . . . . 0.0 110.423 -174.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.47 HD13 ' HB ' ' A' ' 6' ' ' ILE . 80.4 mt -61.37 130.46 46.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.717 -177.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.453 ' O ' HG23 ' A' ' 55' ' ' VAL . 30.7 p -74.66 159.79 31.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.186 -178.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.99 -33.5 70.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.913 0.387 . . . . 0.0 110.016 176.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.512 ' O ' HG13 ' A' ' 57' ' ' ILE . 16.9 tptp -65.96 -52.29 51.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.163 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -57.39 -40.35 78.0 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.048 0.451 . . . . 0.0 110.869 178.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.708 HG11 ' HB3' ' A' ' 74' ' ' ARG . 41.1 t -61.57 -35.04 64.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.335 -0.848 . . . . 0.0 112.043 -179.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -82.19 -31.03 30.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.647 0.26 . . . . 0.0 111.154 178.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 53' ' ' LYS . 82.3 mt -65.55 -48.13 83.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.931 0.396 . . . . 0.0 109.972 176.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.83 143.47 43.62 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.692 174.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -98.33 -66.99 0.87 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.806 0.336 . . . . 0.0 110.769 -177.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.489 HG21 ' HB1' ' A' ' 99' ' ' ALA . 14.6 p -94.72 144.1 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -178.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.717 ' HB ' ' HB ' ' A' ' 80' ' ' VAL . 13.2 t -109.9 142.42 22.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.699 -176.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.7 mt -119.43 117.52 54.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.362 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.549 ' CE1' ' HB ' ' A' ' 8' ' ' VAL . 1.5 m-85 -106.06 119.33 38.93 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.007 0.432 . . . . 0.0 110.783 177.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.49 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -122.72 88.84 3.0 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 171.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.522 HG12 ' N ' ' A' ' 10' ' ' ALA . 28.9 m -141.42 174.88 6.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.238 0.542 . . . . 0.0 111.795 -168.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.473 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 18.6 t70 -135.73 -17.54 1.69 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.716 173.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.677 HG21 ' HB2' ' A' ' 12' ' ' ALA . 15.1 t -121.77 -166.33 1.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.007 -175.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -70.74 152.36 43.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.969 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.036 ' HB ' ' HG3' ' A' ' 72' ' ' LYS . 73.1 t -129.21 135.22 62.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.315 178.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.716 ' HD3' HD11 ' A' ' 46' ' ' ILE . 28.0 mtp-105 -88.7 -14.6 36.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -176.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.485 ' HA ' ' HE ' ' A' ' 74' ' ' ARG . 0.5 OUTLIER -86.05 -7.86 58.33 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.185 174.455 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 1.036 ' HG3' ' HB ' ' A' ' 69' ' ' VAL . 50.1 mtpt -55.61 -41.65 73.77 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -173.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -59.1 -33.12 70.46 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.768 0.318 . . . . 0.0 111.436 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.708 ' HB3' HG11 ' A' ' 55' ' ' VAL . 9.2 mtm180 -69.44 -35.67 75.9 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.955 178.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.654 ' CE1' HG13 ' A' ' 6' ' ' ILE . 11.8 m-85 -99.38 11.24 39.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.706 0.288 . . . . 0.0 110.927 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -70.62 -39.34 73.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.327 -170.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -101.09 26.9 22.97 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.718 177.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.426 ' HG3' ' HA ' ' A' ' 75' ' ' PHE . 1.6 mtmp? -128.65 -177.39 4.17 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -176.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.9 t -94.94 122.08 46.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.734 0.302 . . . . 0.0 110.523 -177.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.717 ' HB ' ' HB ' ' A' ' 61' ' ' VAL . 2.6 p -144.25 138.83 24.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.015 0.436 . . . . 0.0 111.152 -177.07 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.424 HD13 HD11 ' A' ' 102' ' ' LEU . 18.3 tp -100.17 123.32 44.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.449 173.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.57 109.76 21.77 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.5 m -119.99 160.77 41.56 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.654 176.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -56.73 148.31 66.4 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.324 2.016 . . . . 0.0 111.175 173.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.49 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 7.5 p -63.15 -24.91 37.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-O 120.849 0.357 . . . . 0.0 111.129 -175.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.7 m -74.93 -19.57 60.07 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 177.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.06 -51.28 37.37 Favored Pre-proline 0 CA--C 1.543 0.682 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -171.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -73.97 13.0 0.87 Allowed 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 121.973 1.782 . . . . 0.0 113.534 -174.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 94.3 mt -82.95 -58.46 3.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.633 0.254 . . . . 0.0 111.09 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -96.35 -13.31 23.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.822 0.344 . . . . 0.0 111.164 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.506 ' O ' HG23 ' A' ' 95' ' ' VAL . 23.9 m-20 -125.59 37.74 4.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.793 0.33 . . . . 0.0 111.067 -176.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.63 -46.48 77.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.339 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -64.76 -33.4 75.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.779 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.41 ' HG3' ' OD1' ' A' ' 91' ' ' ASP . 32.2 mmtp -66.61 -43.06 85.81 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 91' ' ' ASP . 62.4 t -60.9 -44.11 97.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.644 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.461 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 84.2 mt -62.36 -46.71 95.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.783 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -65.67 -38.95 90.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.237 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.97 -36.59 78.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.721 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.489 ' HB1' HG21 ' A' ' 60' ' ' VAL . . . -62.24 -37.51 85.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.428 177.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 84.2 mt -71.05 -31.44 67.88 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.468 178.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.4 -31.02 70.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.751 0.31 . . . . 0.0 110.888 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.424 HD11 HD13 ' A' ' 81' ' ' LEU . 90.7 mt -64.17 -37.27 86.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.746 178.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 26.7 pt -93.04 -1.19 10.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.071 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 38.8 t70 61.28 94.87 0.04 OUTLIER 'General case' 0 C--O 1.231 0.106 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.889 -171.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -44.56 123.55 3.68 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 114.988 -1.005 . . . . 0.0 112.594 -174.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt . . . . . 0 C--O 1.245 0.822 0 CA-C-N 114.717 -1.128 . . . . 0.0 109.609 -178.459 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.478 ' HA ' ' O ' ' A' ' 32' ' ' MET . 17.1 mmt . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 120.817 0.341 . . . . 0.0 111.334 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.8 mtmm -85.44 118.82 25.2 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -168.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.864 ' HE ' ' HG3' ' A' ' 59' ' ' GLU . 4.8 tpt180 -151.56 148.11 27.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.799 172.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.435 ' CB ' ' HA2' ' A' ' 58' ' ' GLY . 73.3 mmtt -84.13 124.56 31.27 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 177.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.538 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 67.4 mt -132.41 131.66 60.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.904 0.383 . . . . 0.0 110.876 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.664 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -112.32 136.5 48.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 173.817 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.537 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -139.23 137.88 36.34 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.884 0.373 . . . . 0.0 111.172 -175.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.453 HG11 HG21 ' A' ' 69' ' ' VAL . 88.5 t -111.79 114.32 46.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.944 176.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.4 p -102.19 112.5 25.2 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.704 177.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.776 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . . . -129.05 145.28 51.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.803 -175.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.915 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 49.8 t -162.05 131.9 4.66 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 174.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.34 -16.84 12.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.942 0.401 . . . . 0.0 111.145 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.9 p -86.82 -52.11 5.68 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.03 0.443 . . . . 0.0 111.007 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -113.01 96.1 0.8 Allowed Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 177.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.475 HG12 ' HE2' ' A' ' 19' ' ' TYR . 31.8 t -56.53 -41.56 73.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.681 0.277 . . . . 0.0 111.735 -174.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.65 -27.3 67.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.519 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.6 m170 -67.28 -36.39 81.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.249 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.54 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 4.3 m -60.73 -46.77 89.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.969 -178.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.475 ' HE2' HG12 ' A' ' 15' ' ' VAL . 55.6 m-85 -70.74 -37.9 73.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.113 0.482 . . . . 0.0 110.455 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 51.0 ttm -66.91 -45.34 78.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.395 -176.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.442 ' HA ' HG12 ' A' ' 89' ' ' ILE . . . -59.22 -43.98 92.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.328 -177.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.499 ' O ' ' HG2' ' A' ' 26' ' ' LYS . . . -64.59 -51.32 63.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.811 -178.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -66.36 -35.24 79.85 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.232 -176.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.99 -41.27 71.18 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.186 0.517 . . . . 0.0 110.201 178.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.643 HD13 ' HB3' ' A' ' 88' ' ' PRO . 55.2 tp -62.47 -38.87 91.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.599 176.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 22' ' ' ALA . 12.7 mmmm -55.76 -43.12 76.38 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.189 177.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -61.23 -48.53 81.05 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.278 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.54 -40.68 98.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.433 -179.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.47 -50.27 63.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.06 0.457 . . . . 0.0 111.33 -178.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -67.96 -26.09 65.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.422 -177.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.466 ' HD2' ' OE1' ' A' ' 93' ' ' GLU . 35.0 ttmt -68.57 -35.6 77.61 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.977 0.418 . . . . 0.0 110.354 176.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.478 ' O ' ' HA ' ' A' ' 1' ' ' MET . 24.8 mmt -84.61 -4.89 59.22 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.216 -178.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.17 19.85 56.4 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.112 -0.566 . . . . 0.0 113.802 172.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -108.11 170.31 8.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 117.17 0.485 . . . . 0.0 110.88 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -111.5 117.05 31.95 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.846 -177.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.538 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 17.4 tt -120.88 142.23 37.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.325 0.583 . . . . 0.0 111.146 -174.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -122.17 107.8 12.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.155 177.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.537 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 23.2 m -100.76 133.35 44.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -173.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.895 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 24.6 tt0 -95.55 133.45 39.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.008 174.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 1.036 ' HB ' ' HB3' ' A' ' 47' ' ' GLU . 6.4 m -97.38 98.08 9.66 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 176.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.776 ' HB3' ' HB2' ' A' ' 10' ' ' ALA . 7.4 tp-100 -106.23 127.2 53.06 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.761 -172.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -122.14 13.79 8.99 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.51 -0.852 . . . . 0.0 111.804 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 70.84 -52.36 0.67 Allowed 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.587 0.755 . . . . 0.0 111.269 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 m -69.22 -24.3 64.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.632 177.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.27 152.04 20.82 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.369 -178.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.735 HG12 HE22 ' A' ' 41' ' ' GLN . 20.5 mt -103.95 122.26 56.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 177.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 1.036 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 10.4 tp10 -85.02 -37.03 20.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.904 0.383 . . . . 0.0 110.256 -177.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -135.79 87.75 2.34 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.412 ' HG3' HD21 ' A' ' 71' ' ' ASN . 38.6 tt0 -67.11 121.72 16.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.397 -176.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.895 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 57.5 mt -82.43 107.92 15.46 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 173.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.544 ' O ' HG23 ' A' ' 55' ' ' VAL . 57.6 p -78.06 169.29 18.53 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.705 -176.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.499 ' H ' ' CD ' ' A' ' 52' ' ' GLU . 9.9 mp0 -52.6 -41.99 64.16 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 177.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.506 ' O ' HG12 ' A' ' 57' ' ' ILE . 87.1 tttt -52.97 -49.8 65.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.435 177.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -62.77 -44.63 95.67 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.228 0.537 . . . . 0.0 110.692 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.722 HG11 ' HG3' ' A' ' 74' ' ' ARG . 40.4 t -68.39 -34.65 67.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.726 -174.012 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.94 -25.77 64.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.203 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.506 HG12 ' O ' ' A' ' 53' ' ' LYS . 48.7 mm -78.89 -48.92 21.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.854 -177.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.435 ' HA2' ' CB ' ' A' ' 4' ' ' LYS . . . -67.19 142.79 41.85 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.033 -0.603 . . . . 0.0 113.446 -178.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.864 ' HG3' ' HE ' ' A' ' 3' ' ' ARG . 23.3 mm-40 -79.85 -70.55 0.51 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.106 0.479 . . . . 0.0 110.41 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.0 m -97.73 149.57 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.15 -176.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.69 HG11 ' HB3' ' A' ' 75' ' ' PHE . 31.6 t -110.45 118.65 57.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.347 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.7 mt -97.14 119.55 45.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.98 176.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.569 ' CZ ' ' HG3' ' A' ' 72' ' ' LYS . 20.0 m-85 -108.33 110.71 22.34 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.913 0.387 . . . . 0.0 111.143 177.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.591 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -116.73 90.78 3.41 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 170.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.604 HG12 ' HB3' ' A' ' 10' ' ' ALA . 27.5 m -130.53 137.2 56.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.732 0.777 . . . . 0.0 112.536 -169.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.915 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 6.6 t70 -96.74 -23.33 16.48 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.389 -1.278 . . . . 0.0 109.1 170.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.8 t -125.89 -170.96 2.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.065 -178.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -80.94 171.01 15.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.128 0.49 . . . . 0.0 111.378 -176.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.769 HG13 ' HB2' ' A' ' 72' ' ' LYS . 2.1 p -147.59 120.1 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.106 177.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.506 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 3.6 tmt_? -69.71 -39.92 76.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.73 -175.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.412 HD21 ' HG3' ' A' ' 49' ' ' GLU . 93.1 m-20 -68.36 -7.68 33.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.933 -175.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.769 ' HB2' HG13 ' A' ' 69' ' ' VAL . 19.2 ttpp -54.53 -23.7 17.62 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 122.545 0.338 . . . . 0.0 111.3 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 17.2 mt-10 -40.85 -53.0 2.97 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 123.88 0.737 . . . . 0.0 111.436 178.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.722 ' HG3' HG11 ' A' ' 55' ' ' VAL . 10.3 ptp180 -82.22 -34.34 28.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.79 -1.095 . . . . 0.0 111.895 -172.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.69 ' HB3' HG11 ' A' ' 61' ' ' VAL . 77.0 m-85 -70.54 -32.1 69.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.173 0.511 . . . . 0.0 110.767 -178.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.75 -26.28 67.66 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.341 -172.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -90.37 12.97 66.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.999 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -119.66 -164.58 1.08 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.1 t -82.88 115.67 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.0 t -114.18 137.47 47.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.0 0.428 . . . . 0.0 112.054 -171.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.589 HD23 HD11 ' A' ' 102' ' ' LEU . 3.1 tm? -132.13 113.44 13.33 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 172.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.548 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 48.4 mt-10 -105.15 135.63 46.15 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.823 0.344 . . . . 0.0 111.562 -175.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.458 ' HB ' ' HD2' ' A' ' 84' ' ' PRO . 15.4 m -141.01 164.03 38.56 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.602 177.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.51 ' HG2' ' HB2' ' A' ' 87' ' ' ALA . 27.6 Cg_endo -64.5 155.36 66.81 Favored 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 122.288 1.992 . . . . 0.0 111.119 172.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.591 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 12.2 p -65.6 -24.86 35.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.925 0.393 . . . . 0.0 111.117 -176.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.8 m -73.77 -22.45 59.84 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.611 178.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.579 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -63.5 -56.0 30.24 Favored Pre-proline 0 CA--C 1.535 0.374 0 N-CA-C 113.067 0.765 . . . . 0.0 113.067 -172.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.643 ' HB3' HD13 ' A' ' 25' ' ' LEU . 11.2 Cg_exo -72.01 7.27 1.76 Allowed 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 122.3 2.0 . . . . 0.0 113.318 -175.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.442 HG12 ' HA ' ' A' ' 21' ' ' ALA . 71.8 mt -87.79 -51.74 12.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 175.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 90' ' ' LYS . 53.1 mtpt -97.36 -30.53 12.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.829 179.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.498 ' O ' HG23 ' A' ' 95' ' ' VAL . 11.6 m-20 -121.34 34.33 5.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.876 -171.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 88' ' ' PRO . . . -53.38 -45.9 69.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.814 -177.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.466 ' OE1' ' HD2' ' A' ' 31' ' ' LYS . 36.2 mt-10 -67.27 -32.17 73.0 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.302 -176.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -70.67 -39.22 73.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.094 0.473 . . . . 0.0 109.973 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 91' ' ' ASP . 60.7 t -60.09 -42.26 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.263 176.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 92' ' ' ALA . 78.8 mt -61.01 -45.85 97.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.555 177.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -63.88 -33.38 75.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.173 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.97 -42.65 99.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.967 0.413 . . . . 0.0 110.28 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.65 -39.14 80.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.61 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 92.0 mt -64.11 -34.94 79.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.911 177.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.447 ' HA ' ' HA ' ' A' ' 105' ' ' GLU . . . -64.98 -23.38 67.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.411 -179.102 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.589 HD11 HD23 ' A' ' 81' ' ' LEU . 79.8 mt -77.88 -45.16 25.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.88 0.371 . . . . 0.0 110.948 -178.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.402 HG13 ' N ' ' A' ' 104' ' ' ASP . 27.6 pt -93.14 -39.63 11.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -175.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.402 ' N ' HG13 ' A' ' 103' ' ' ILE . 23.6 t70 -115.96 -17.56 10.92 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.588 0.232 . . . . 0.0 111.229 -172.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.447 ' HA ' ' HA ' ' A' ' 101' ' ' ALA . 33.7 tt0 67.07 22.63 9.88 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.784 0.802 . . . . 0.0 109.867 178.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.655 ' HA ' ' HE2' ' A' ' 106' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.245 0.836 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.355 -178.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.6 ttm . . . . . 0 N--CA 1.482 1.153 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.5 ' HD3' ' O ' ' A' ' 33' ' ' GLY . 47.3 mmtm -83.27 59.54 5.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.033 0.444 . . . . 0.0 110.325 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.55 ' HE ' ' HG3' ' A' ' 59' ' ' GLU . 3.6 tpt180 -87.58 138.37 31.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.415 -176.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -84.34 128.22 34.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.68 -179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.414 HG23 HG23 ' A' ' 60' ' ' VAL . 66.6 mt -139.37 137.68 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 121.151 -0.22 . . . . 0.0 110.621 -178.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.606 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -113.43 132.52 62.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 171.121 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.453 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -140.56 132.9 28.32 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.683 -176.115 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.7 t -110.16 114.83 48.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.016 0.436 . . . . 0.0 110.485 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.575 HG22 ' HB3' ' A' ' 64' ' ' ALA . 17.6 p -97.13 108.9 21.73 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.283 173.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.631 ' HA ' ' O ' ' A' ' 41' ' ' GLN . . . -127.25 103.03 7.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.861 0.362 . . . . 0.0 111.864 -173.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.658 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 42.8 t -124.56 131.27 53.49 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 176.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.24 -31.12 7.69 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.932 0.396 . . . . 0.0 110.745 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.0 m -71.72 -54.95 8.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.814 -178.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -114.32 93.94 0.66 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.942 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 m -61.8 -20.91 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -176.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.69 -27.47 64.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.069 0.461 . . . . 0.0 110.358 176.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -75.36 -34.73 61.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.62 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.446 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 2.6 m -55.68 -53.93 50.44 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.422 0.451 . . . . 0.0 111.23 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -75.68 -32.64 60.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.331 -175.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 51.2 ttm -70.54 -43.16 70.14 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.775 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.17 -44.72 95.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.694 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.462 ' O ' ' HG3' ' A' ' 26' ' ' LYS . . . -57.72 -49.14 77.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.329 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -69.83 -38.75 76.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.446 -177.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.468 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . . . -66.81 -39.96 87.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.19 0.519 . . . . 0.0 110.398 177.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.7 tp -62.99 -45.36 92.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.248 175.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 97.4 mttt -58.49 -42.45 87.6 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.568 175.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -61.63 -42.11 98.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.635 -177.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.443 ' HA3' ' HB1' ' A' ' 92' ' ' ALA . . . -72.69 -39.72 54.96 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.262 178.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.412 ' HA ' ' CD1' ' A' ' 96' ' ' ILE . . . -66.33 -41.98 88.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.902 0.382 . . . . 0.0 110.903 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.547 ' HA ' ' HE3' ' A' ' 30' ' ' LYS . 1.6 tpmt? -69.23 -29.11 66.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.28 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -61.55 -34.17 75.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.996 175.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.408 ' HB2' ' ND2' ' A' ' 34' ' ' ASN . 85.5 mmm -85.49 -6.03 59.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.547 178.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.5 ' O ' ' HD3' ' A' ' 2' ' ' LYS . . . 80.02 17.07 75.46 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.577 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.408 ' ND2' ' HB2' ' A' ' 32' ' ' MET . 87.6 m-20 -75.39 167.31 22.14 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.431 0.634 . . . . 0.0 111.514 -175.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 98.2 mt -117.0 92.74 3.94 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.528 173.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 15.8 tt -111.58 144.52 19.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.065 -171.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -116.57 103.37 10.33 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 35.4 t -93.85 117.53 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.07 -176.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.654 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 42.3 tt0 -94.52 148.99 21.69 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.09 -177.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.487 ' OG1' ' HB2' ' A' ' 47' ' ' GLU . 3.7 p -120.78 110.27 16.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.073 0.464 . . . . 0.0 111.597 -177.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.631 ' O ' ' HA ' ' A' ' 10' ' ' ALA . 41.8 tt0 -115.87 148.16 40.27 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 175.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -148.7 -75.1 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.356 -0.926 . . . . 0.0 111.949 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.63 79.18 1.33 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.616 0.246 . . . . 0.0 110.793 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.8 m 71.15 -37.57 0.4 Allowed 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 178.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.77 172.8 28.84 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.704 -171.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.4 HD13 ' HB2' ' A' ' 41' ' ' GLN . 35.0 mm -120.13 127.12 75.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -179.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.487 ' HB2' ' OG1' ' A' ' 40' ' ' THR . 48.8 mt-10 -85.58 -71.49 0.53 Allowed 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.276 179.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -81.66 71.07 8.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.467 0.651 . . . . 0.0 109.306 177.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -56.88 120.26 7.62 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.247 -1.342 . . . . 0.0 112.413 -176.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.654 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 79.6 mt -85.51 151.28 24.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.686 173.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 77.3 p -110.1 169.79 8.5 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 177.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.4 ' OE1' ' HD3' ' A' ' 74' ' ' ARG . 9.6 mm-40 -59.97 -30.39 69.08 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -177.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.557 ' O ' HG12 ' A' ' 57' ' ' ILE . 39.0 ttpt -58.43 -51.47 69.69 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 175.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -58.39 -46.7 85.85 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.152 0.501 . . . . 0.0 110.406 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.9 t -59.94 -38.17 75.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.521 -178.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -88.07 -10.94 48.6 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -177.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.557 HG12 ' O ' ' A' ' 53' ' ' LYS . 35.0 mm -89.99 -47.14 14.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 174.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.423 ' HA3' HG23 ' A' ' 6' ' ' ILE . . . -61.13 134.02 48.8 Favored Glycine 0 CA--C 1.519 0.312 0 CA-C-N 116.012 -0.54 . . . . 0.0 113.037 -179.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.55 ' HG3' ' HE ' ' A' ' 3' ' ' ARG . 6.4 mm-40 -73.8 -70.5 0.38 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.346 0.593 . . . . 0.0 110.54 -177.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.633 ' HA ' HG13 ' A' ' 79' ' ' VAL . 19.6 m -99.7 151.45 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.978 -174.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.542 HG22 HD11 ' A' ' 6' ' ' ILE . 32.4 t -110.4 116.31 52.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.622 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.9 mt -103.61 126.3 58.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.429 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.625 ' HB2' ' HG2' ' A' ' 82' ' ' GLU . 42.8 m-85 -112.77 102.86 10.87 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.821 0.343 . . . . 0.0 110.956 176.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.575 ' HB3' HG22 ' A' ' 9' ' ' THR . . . -100.76 91.63 4.71 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 172.153 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.628 HG12 ' HB3' ' A' ' 10' ' ' ALA . 23.9 m -128.25 154.8 39.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.882 0.848 . . . . 0.0 113.153 -168.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.658 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 0.9 OUTLIER -111.94 -24.29 10.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 113.963 -1.471 . . . . 0.0 108.848 173.9 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.6 t -128.22 -168.79 1.96 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.004 -0.998 . . . . 0.0 108.729 176.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -85.64 167.18 15.57 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.706 0.288 . . . . 0.0 110.32 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.438 ' CG2' ' HB2' ' A' ' 72' ' ' LYS . 15.5 m -123.99 157.04 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.32 178.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -94.6 -35.48 12.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.423 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.525 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 85.7 m-20 -76.58 -5.86 49.5 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 -171.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.484 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 41.3 ttmt -57.03 -24.88 56.94 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.288 0.566 . . . . 0.0 109.62 178.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -42.37 -51.62 4.84 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.788 -1.096 . . . . 0.0 112.095 174.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.525 ' HG2' ' O ' ' A' ' 71' ' ' ASN . 13.1 ptp180 -83.02 -26.9 30.77 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -177.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.573 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 29.0 m-85 -76.79 -8.61 57.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.513 0.197 . . . . 0.0 111.285 177.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.28 -40.86 95.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.867 -176.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -82.39 16.43 24.1 Favored Glycine 0 C--O 1.23 -0.152 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.156 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.573 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 26.1 mtpp -124.88 -173.67 2.85 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -178.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.633 HG13 ' HA ' ' A' ' 60' ' ' VAL . 3.9 p -90.64 127.46 43.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.816 0.341 . . . . 0.0 110.484 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.8 t -119.87 135.6 59.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.79 -171.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -133.53 117.02 16.64 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 173.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.625 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 45.9 mt-10 -107.43 138.7 43.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.1 0.476 . . . . 0.0 111.973 -176.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.523 ' HB ' ' HD2' ' A' ' 84' ' ' PRO . 17.3 m -141.86 165.46 27.83 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.49 175.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.766 ' HG2' ' HB2' ' A' ' 87' ' ' ALA . 28.3 Cg_endo -64.78 147.98 89.88 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 121.813 1.675 . . . . 0.0 111.024 172.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.418 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 14.5 p -60.4 -32.86 52.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.951 0.405 . . . . 0.0 111.729 -175.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.3 m -74.29 -18.74 60.67 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -178.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.766 ' HB2' ' HG2' ' A' ' 84' ' ' PRO . . . -62.67 -55.85 34.97 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -173.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.632 ' HD3' ' HB3' ' A' ' 87' ' ' ALA . 29.3 Cg_exo -63.22 -8.99 15.75 Favored 'Trans proline' 0 C--N 1.358 1.059 0 C-N-CA 122.649 2.233 . . . . 0.0 113.586 -174.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.468 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . 61.6 mt -64.68 -42.43 95.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.068 0.461 . . . . 0.0 109.875 176.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -98.95 -50.81 4.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.554 175.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.652 ' HB3' ' HB3' ' A' ' 94' ' ' LYS . 2.8 m-20 -88.04 38.74 0.86 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.328 -173.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.443 ' HB1' ' HA3' ' A' ' 28' ' ' GLY . . . -53.1 -52.28 59.12 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -171.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.456 ' HA ' HD12 ' A' ' 96' ' ' ILE . 2.4 mp0 -77.54 -23.22 50.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.043 0.449 . . . . 0.0 110.463 -177.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.652 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 66.4 tttm -73.07 -39.42 65.88 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.76 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 91' ' ' ASP . 87.5 t -60.21 -38.95 79.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.302 175.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.456 HD12 ' HA ' ' A' ' 93' ' ' GLU . 76.1 mt -61.34 -49.18 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.318 175.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -61.27 -36.29 79.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.991 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.69 -41.44 95.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.59 79.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.802 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.94 -28.36 70.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.07 0.462 . . . . 0.0 110.92 177.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.714 ' HA ' ' HA ' ' A' ' 105' ' ' GLU . . . -66.56 -17.2 64.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.83 179.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -83.95 -9.05 58.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.597 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.436 HG23 HG21 ' A' ' 79' ' ' VAL . 24.5 pt -122.75 -33.21 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.761 178.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.403 ' O ' ' HG2' ' A' ' 105' ' ' GLU . 5.6 m-20 -140.65 -49.5 0.44 Allowed 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.765 -0.198 . . . . 0.0 111.487 -178.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.714 ' HA ' ' HA ' ' A' ' 101' ' ' ALA . 0.8 OUTLIER 77.14 -1.59 2.76 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 124.419 1.074 . . . . 0.0 110.183 -172.828 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 86.0 tttt . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.357 -0.83 . . . . 0.0 109.259 174.255 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.4 mmt . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 34.6 mtmm -63.5 108.41 1.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.299 0.374 . . . . 0.0 111.893 -173.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.467 ' HE ' ' CD ' ' A' ' 59' ' ' GLU . 1.7 tpt180 -103.71 167.2 9.94 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.288 -0.414 . . . . 0.0 109.945 175.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.529 ' CB ' ' HA2' ' A' ' 58' ' ' GLY . 65.5 mmtt -99.72 111.14 23.49 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 57.1 mt -120.94 128.24 76.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.777 0.322 . . . . 0.0 111.273 -178.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.641 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -112.01 132.75 59.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 171.421 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.602 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -137.82 147.1 44.27 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.902 0.382 . . . . 0.0 111.392 -174.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.476 HG11 HG11 ' A' ' 69' ' ' VAL . 57.3 t -121.98 124.71 71.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.464 177.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.3 p -109.54 128.28 55.08 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.043 176.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.72 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . . . -151.11 149.58 29.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.151 -176.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.972 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 18.6 t -158.32 144.48 17.17 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 176.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.536 ' HB2' ' HB ' ' A' ' 67' ' ' THR . . . -102.59 -44.34 5.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.74 0.305 . . . . 0.0 111.217 -177.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.9 m -91.63 -61.81 1.56 Allowed 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.143 -178.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.58 68.11 3.53 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.835 -0.697 . . . . 0.0 111.899 178.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.469 HG12 ' HE2' ' A' ' 19' ' ' TYR . 45.2 t -50.26 -37.27 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -173.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.65 -24.74 66.92 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -177.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -66.88 -34.6 78.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.33 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.3 m -57.37 -48.09 79.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.231 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.469 ' HE2' HG12 ' A' ' 15' ' ' VAL . 69.0 m-85 -80.86 -21.07 41.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.017 -172.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.1 tpt -80.82 -48.71 12.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.709 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.77 -36.72 79.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.577 -176.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.88 -46.24 82.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.325 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.474 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 10.9 mm-40 -80.41 -32.55 37.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.354 -178.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.14 -43.61 97.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.963 0.411 . . . . 0.0 110.199 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.6 mt -60.34 -38.86 85.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.802 175.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.452 ' HE3' HG22 ' A' ' 38' ' ' VAL . 15.1 mttp -62.07 -49.17 77.02 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.937 177.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -59.57 -43.34 93.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.596 -178.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.64 -41.73 95.83 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.234 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.3 -42.91 96.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.888 0.375 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.426 ' HD3' ' O ' ' A' ' 26' ' ' LYS . 5.4 mptp? -69.95 -29.79 67.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.066 178.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -64.23 -43.47 94.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.056 0.455 . . . . 0.0 110.24 176.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.443 ' HB2' HD22 ' A' ' 34' ' ' ASN . 16.3 mmt -72.79 -34.88 67.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.705 177.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 2' ' ' LYS . . . 103.88 55.47 0.78 Allowed Glycine 0 C--O 1.225 -0.424 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.107 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.443 HD22 ' HB2' ' A' ' 32' ' ' MET . 38.2 m-80 -132.99 170.41 15.4 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.137 0.494 . . . . 0.0 111.454 -176.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.404 ' CD2' ' HB3' ' A' ' 2' ' ' LYS . 3.0 mm? -106.57 124.52 49.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.051 175.07 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 17.1 tt -128.53 136.59 59.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.345 0.593 . . . . 0.0 111.397 -175.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -116.04 106.03 13.3 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.876 175.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.602 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 16.9 m -102.07 143.49 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 CA-C-O 121.249 0.547 . . . . 0.0 111.439 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.63 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 36.1 tt0 -111.72 131.7 55.12 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.389 174.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.435 ' OG1' ' HB2' ' A' ' 47' ' ' GLU . 38.6 p -98.25 104.16 16.17 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 121.371 0.605 . . . . 0.0 110.329 177.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.72 ' HB3' ' HB2' ' A' ' 10' ' ' ALA . 7.3 tp-100 -89.92 85.13 6.28 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 176.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.14 58.1 4.61 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.051 -175.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 62.63 85.41 0.13 Allowed 'General case' 0 C--O 1.235 0.317 0 C-N-CA 122.936 0.494 . . . . 0.0 110.784 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.7 m 75.79 -36.15 0.28 Allowed 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.009 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.27 113.17 4.26 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.39 -176.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.576 HG12 HE22 ' A' ' 41' ' ' GLN . 16.4 mt -90.34 130.37 39.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -178.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.435 ' HB2' ' OG1' ' A' ' 40' ' ' THR . 50.0 mt-10 -102.69 -47.0 4.56 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.425 -0.51 . . . . 0.0 111.485 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.616 ' HB2' ' HA ' ' A' ' 39' ' ' GLU . 14.3 m120 -81.05 -61.02 2.08 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 121.084 -0.247 . . . . 0.0 111.001 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.61 ' H ' ' HG3' ' A' ' 39' ' ' GLU . 53.6 tt0 66.55 99.32 0.05 OUTLIER 'General case' 0 C--O 1.233 0.186 0 O-C-N 123.803 0.69 . . . . 0.0 110.585 -177.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.63 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 87.0 mt -82.86 132.19 35.17 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.46 177.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.459 ' O ' HG23 ' A' ' 55' ' ' VAL . 38.1 p -91.55 157.78 16.82 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.933 -173.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -49.42 -45.14 45.96 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.984 0.421 . . . . 0.0 110.458 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.418 ' O ' HG12 ' A' ' 57' ' ' ILE . 89.0 tttt -64.24 -45.03 89.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.019 -178.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -69.97 -39.32 76.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.581 -176.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.699 HG21 ' HG3' ' A' ' 74' ' ' ARG . 81.8 t -64.3 -37.56 80.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.956 177.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.84 -21.54 64.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.286 -179.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 53' ' ' LYS . 48.9 mm -70.78 -45.48 73.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 175.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.529 ' HA2' ' CB ' ' A' ' 4' ' ' LYS . . . -65.71 154.26 50.92 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.333 177.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.467 ' CD ' ' HE ' ' A' ' 3' ' ' ARG . 33.7 mt-10 -108.75 -53.62 2.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.636 0.255 . . . . 0.0 110.975 -177.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.464 ' HA ' HG13 ' A' ' 79' ' ' VAL . 22.8 m -102.57 141.08 19.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.813 0.339 . . . . 0.0 110.659 178.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.541 HG22 HD11 ' A' ' 6' ' ' ILE . 21.6 t -110.82 128.79 66.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.7 -177.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.435 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 65.8 mt -110.8 127.62 67.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.132 177.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -119.57 112.19 19.02 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.949 0.404 . . . . 0.0 110.959 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.65 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -113.69 90.84 3.45 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 171.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.542 HG12 ' HB3' ' A' ' 10' ' ' ALA . 24.1 m -131.66 138.69 52.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.672 0.748 . . . . 0.0 112.622 -168.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.972 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 16.0 t70 -114.27 -1.87 13.48 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.416 -1.266 . . . . 0.0 109.212 173.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.536 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 11.3 t -143.9 174.24 11.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.52 -178.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.433 ' HE2' ' HB3' ' A' ' 68' ' ' LYS . 35.4 ttpt -70.97 141.25 51.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.325 -177.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.609 ' HB ' ' HB2' ' A' ' 72' ' ' LYS . 46.2 t -114.86 126.18 72.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.021 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -82.16 -35.51 28.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.785 -175.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.449 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 92.9 m-20 -82.16 -7.22 59.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.709 0.29 . . . . 0.0 111.069 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.609 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 44.1 tttm -50.2 -28.26 7.24 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.144 -178.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -51.33 -34.93 35.77 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -175.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.699 ' HG3' HG21 ' A' ' 55' ' ' VAL . 12.7 ptp180 -83.55 -7.19 59.57 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -174.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.493 ' HD2' ' HA ' ' A' ' 72' ' ' LYS . 33.3 m-85 -96.53 -1.36 47.29 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.188 0.518 . . . . 0.0 109.788 174.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.0 140.19 35.33 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.946 179.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.96 23.3 45.96 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -171.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.65 ' HE3' ' O ' ' A' ' 74' ' ' ARG . 5.8 mtmm -139.03 -158.37 0.85 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.886 -0.657 . . . . 0.0 109.662 -179.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.464 HG13 ' HA ' ' A' ' 60' ' ' VAL . 4.8 p -110.19 107.24 22.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.35 0.595 . . . . 0.0 110.737 -177.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.5 t -107.3 115.17 48.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.578 -175.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.636 HD23 HD11 ' A' ' 102' ' ' LEU . 3.2 tm? -98.87 102.04 13.64 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 172.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -104.9 123.62 48.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.425 -171.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.0 m -134.66 163.76 48.87 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.049 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -59.06 143.79 99.64 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.255 1.97 . . . . 0.0 111.329 173.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.65 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 14.3 p -64.85 -23.53 33.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.992 0.425 . . . . 0.0 111.768 -175.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.8 m -73.96 -20.04 60.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.457 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.419 ' N ' ' HD2' ' A' ' 88' ' ' PRO . . . -70.17 -54.52 9.32 Favored Pre-proline 0 CA--C 1.538 0.499 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -174.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.436 ' HG3' ' CB ' ' A' ' 64' ' ' ALA . 57.4 Cg_endo -69.01 3.68 2.28 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 122.58 2.187 . . . . 0.0 113.75 -175.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 52.2 mt -81.32 -38.96 16.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.371 0.605 . . . . 0.0 109.385 174.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -97.2 -52.09 3.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.119 176.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.574 ' O ' HG23 ' A' ' 95' ' ' VAL . 7.2 m-20 -93.46 37.37 1.05 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.105 -173.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.73 -53.29 54.21 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -172.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -68.69 -29.33 67.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.583 0.706 . . . . 0.0 110.357 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.481 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 64.0 tttt -72.88 -35.87 67.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.271 -177.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 91' ' ' ASP . 95.7 t -65.73 -41.81 91.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.463 175.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.459 ' O ' HD23 ' A' ' 100' ' ' LEU . 80.3 mt -62.79 -48.64 87.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.578 177.256 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -62.82 -26.56 68.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 178.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.15 -37.99 89.16 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.705 0.288 . . . . 0.0 110.649 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.09 84.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.266 0.555 . . . . 0.0 109.913 176.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.459 HD23 ' O ' ' A' ' 96' ' ' ILE . 4.3 mm? -66.33 -30.68 71.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.854 177.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.952 ' HA ' ' HA ' ' A' ' 105' ' ' GLU . . . -68.2 -17.56 64.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.315 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.636 HD11 HD23 ' A' ' 81' ' ' LEU . 90.0 mt -79.58 -36.59 37.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.984 179.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.412 HG13 ' N ' ' A' ' 104' ' ' ASP . 25.5 pt -96.9 -46.91 12.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -175.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.412 ' N ' HG13 ' A' ' 103' ' ' ILE . 46.8 m-20 -109.55 -35.62 6.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.677 0.275 . . . . 0.0 111.273 -177.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.952 ' HA ' ' HA ' ' A' ' 101' ' ' ALA . 29.4 tt0 63.15 72.27 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.747 -170.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.4 ' HD3' ' HB3' ' A' ' 104' ' ' ASP . 54.7 mtpt . . . . . 0 C--O 1.249 1.049 0 CA-C-N 114.964 -1.017 . . . . 0.0 109.723 -177.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.483 1.219 0 CA-C-O 121.213 0.53 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -136.22 100.53 4.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.459 177.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.9 tpp180 -65.66 125.45 25.3 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.795 ' HE2' HD12 ' A' ' 35' ' ' LEU . 34.0 mmtp -89.36 117.8 28.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.299 -179.097 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.57 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 56.2 mt -128.9 135.52 61.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 120.889 0.376 . . . . 0.0 110.871 -178.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.786 HD11 HG22 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -114.78 138.02 46.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 171.47 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.442 ' HA ' ' O ' ' A' ' 62' ' ' ILE . . . -132.89 133.26 43.04 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.095 -174.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.2 t -109.82 130.71 62.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' A' ' 64' ' ' ALA . 14.8 p -114.2 130.03 56.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.042 -179.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.519 ' HB3' HG12 ' A' ' 65' ' ' VAL . . . -147.2 158.02 43.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.577 -179.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.639 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 49.0 t -176.22 -34.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.94 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 70.15 -69.16 0.18 Allowed 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.835 0.71 . . . . 0.0 111.667 177.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.8 m -70.5 -48.36 56.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.861 0.362 . . . . 0.0 110.716 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.4 73.92 2.58 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.728 -0.748 . . . . 0.0 111.685 177.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.1 t -59.6 -49.39 83.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 122.404 0.281 . . . . 0.0 111.464 -176.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.77 -36.0 82.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.139 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -64.14 -34.15 77.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.523 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 29.2 m -64.09 -48.84 74.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.614 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -67.07 -38.87 86.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.614 178.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 50.4 tpp -58.86 -53.55 57.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.921 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.09 91.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.049 -178.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.67 -49.03 79.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.257 0.551 . . . . 0.0 110.94 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -72.38 -30.14 64.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.319 -178.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.94 -40.93 62.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.625 0.25 . . . . 0.0 110.867 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.498 HD21 ' HB3' ' A' ' 88' ' ' PRO . 60.6 mt -60.4 -47.09 87.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.769 175.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.624 ' HA ' HG21 ' A' ' 36' ' ' ILE . 40.7 ttmt -61.97 -42.86 99.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.183 177.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -55.68 -50.34 70.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.0 177.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.82 -35.95 73.7 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.005 -0.617 . . . . 0.0 112.678 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.6 -48.45 77.32 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.589 0.233 . . . . 0.0 111.155 -178.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -69.83 -25.81 63.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.756 0.313 . . . . 0.0 110.513 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -68.45 -45.37 72.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.13 176.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 91.4 mmm -75.96 -18.45 59.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.437 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.25 41.87 4.15 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.712 177.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -123.23 179.18 4.79 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.795 HD12 ' HE2' ' A' ' 4' ' ' LYS . 94.5 mt -121.04 125.02 46.25 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 179.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.624 HG21 ' HA ' ' A' ' 26' ' ' LYS . 14.3 tt -129.89 138.36 54.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.193 0.52 . . . . 0.0 111.89 -174.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' HB2' HG22 ' A' ' 6' ' ' ILE . 14.0 mmmm -116.53 108.57 16.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.224 172.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.0 p -100.97 137.63 27.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.293 0.568 . . . . 0.0 111.82 -174.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.794 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 39.1 tt0 -111.53 142.87 43.26 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.173 176.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.648 ' HB ' ' HB2' ' A' ' 47' ' ' GLU . 34.4 m -111.67 109.95 20.08 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 177.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.798 HE21 HG23 ' A' ' 46' ' ' ILE . 16.9 tt0 -134.85 102.09 5.13 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -174.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.74 -50.75 62.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.619 -0.801 . . . . 0.0 111.877 -177.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 179.38 -46.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 177.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.1 m -117.73 -24.91 7.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.281 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.46 137.76 14.28 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.798 HG23 HE21 ' A' ' 41' ' ' GLN . 5.2 mm -119.89 116.18 49.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 -174.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.648 ' HB2' ' HB ' ' A' ' 40' ' ' THR . 28.1 mt-10 -113.82 137.41 51.69 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 177.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 58.9 t30 72.93 -57.62 0.63 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.989 0.916 . . . . 0.0 110.204 -173.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 64.07 103.13 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.281 0.632 . . . . 0.0 111.538 176.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.794 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 83.0 mt -81.42 110.02 16.45 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.523 -179.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 55' ' ' VAL . 33.4 p -73.17 166.17 23.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.526 177.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -51.56 -32.4 28.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.687 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.592 ' O ' HG12 ' A' ' 57' ' ' ILE . 1.3 tmmt? -60.95 -57.72 11.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.196 178.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -66.25 -34.91 79.08 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.111 0.482 . . . . 0.0 110.923 -176.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.536 HG11 ' HG3' ' A' ' 74' ' ' ARG . 73.2 t -61.04 -37.44 77.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.248 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -93.41 7.25 45.23 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.926 0.394 . . . . 0.0 111.415 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.592 HG12 ' O ' ' A' ' 53' ' ' LYS . 36.7 mm -82.71 -49.71 16.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 169.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.531 ' HA2' ' HB3' ' A' ' 4' ' ' LYS . . . -68.59 144.07 41.54 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.965 177.444 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 8.6 pt-20 -99.61 -29.99 12.38 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.662 0.267 . . . . 0.0 110.775 -176.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.594 HG21 ' HB1' ' A' ' 99' ' ' ALA . 8.7 p -125.11 144.57 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 174.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.786 HG22 HD11 ' A' ' 6' ' ' ILE . 11.0 t -112.33 132.05 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.906 0.384 . . . . 0.0 111.062 -176.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.442 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 65.3 mt -112.93 127.95 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.052 176.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.443 ' CD1' HG13 ' A' ' 80' ' ' VAL . 58.7 m-85 -111.77 104.47 12.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.758 177.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.437 ' O ' ' HA ' ' A' ' 9' ' ' THR . . . -96.75 89.92 5.1 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 170.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.519 HG12 ' HB3' ' A' ' 10' ' ' ALA . 27.7 m -136.22 149.77 27.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.336 0.588 . . . . 0.0 111.679 -170.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.639 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 13.3 t70 -116.51 5.3 13.35 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.875 0.845 . . . . 0.0 108.756 173.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.8 t -155.91 -171.66 3.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.845 -1.071 . . . . 0.0 109.208 -178.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -86.63 167.74 14.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.922 0.391 . . . . 0.0 110.607 -178.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.544 ' CG2' ' HB2' ' A' ' 72' ' ' LYS . 23.2 m -136.87 170.54 18.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.915 176.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -94.28 -49.18 5.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.323 0.582 . . . . 0.0 110.912 -175.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.618 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 96.2 m-20 -74.32 -5.66 43.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.276 -171.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.544 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 26.8 ttpp -45.76 -32.05 2.32 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -58.95 -26.09 64.11 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -173.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.618 ' HG2' ' O ' ' A' ' 71' ' ' ASN . 10.9 ptp180 -89.13 -16.07 32.33 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 122.008 -0.432 . . . . 0.0 111.484 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.641 ' HB3' HG11 ' A' ' 61' ' ' VAL . 51.5 m-85 -96.03 -18.78 19.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.202 0.525 . . . . 0.0 110.313 179.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.63 -47.64 83.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.935 -1.03 . . . . 0.0 112.713 -170.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -84.06 29.07 3.93 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.754 -0.736 . . . . 0.0 113.071 -175.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.484 ' HE3' HG12 ' A' ' 55' ' ' VAL . 60.4 mttm -121.97 -105.65 0.37 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.067 0.461 . . . . 0.0 109.87 177.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.592 HG21 HG21 ' A' ' 103' ' ' ILE . 38.5 t -138.72 115.24 10.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.443 HG13 ' CD1' ' A' ' 63' ' ' PHE . 57.7 t -109.99 104.74 17.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.082 0.467 . . . . 0.0 111.689 -173.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.458 HD23 HD11 ' A' ' 102' ' ' LEU . 2.5 tm? -100.12 101.12 12.09 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 172.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -104.24 124.12 48.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.152 -174.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.3 m -140.44 158.42 66.26 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.05 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.41 ' O ' ' HD3' ' A' ' 88' ' ' PRO . 32.4 Cg_exo -59.01 144.41 99.38 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.34 2.027 . . . . 0.0 111.344 175.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.42 HG11 ' HB2' ' A' ' 11' ' ' CYS . 8.7 p -63.71 -20.38 26.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-O 121.074 0.464 . . . . 0.0 111.555 -175.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.1 p -73.93 -27.78 61.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.186 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.533 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -68.03 -52.64 22.82 Favored Pre-proline 0 CA--C 1.539 0.53 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -172.513 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.533 ' HD3' ' HB3' ' A' ' 87' ' ' ALA . 16.6 Cg_exo -68.75 1.23 3.96 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 122.54 2.16 . . . . 0.0 113.459 -175.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 52.0 mt -70.02 -48.74 61.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.047 0.451 . . . . 0.0 110.08 177.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -96.35 -49.2 5.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.092 175.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.44 ' O ' HG23 ' A' ' 95' ' ' VAL . 73.2 m-20 -103.37 40.64 1.37 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.872 -169.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 88' ' ' PRO . . . -53.81 -37.18 63.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.064 0.459 . . . . 0.0 110.382 175.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -56.13 -45.69 79.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.704 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -73.1 -32.22 64.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.768 -178.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 91' ' ' ASP . 60.1 t -70.01 -41.36 79.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.05 0.452 . . . . 0.0 110.605 178.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.82 -48.43 88.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.328 178.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -71.19 -21.04 62.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.324 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.02 -40.26 82.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.839 0.352 . . . . 0.0 110.34 177.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.594 ' HB1' HG21 ' A' ' 60' ' ' VAL . . . -67.22 -44.62 79.05 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.317 178.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.68 -35.46 79.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.474 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.74 -17.53 63.12 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -178.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.458 HD11 HD23 ' A' ' 81' ' ' LEU . 71.0 mt -81.38 -44.37 17.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.931 0.395 . . . . 0.0 111.121 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.592 HG21 HG21 ' A' ' 79' ' ' VAL . 30.7 pt -101.95 -36.92 4.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -173.336 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -105.62 -20.79 13.36 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -176.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 57.78 71.77 0.56 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.412 178.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.199 -0.905 . . . . 0.0 109.909 179.634 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.481 1.113 0 CA-C-O 120.783 0.325 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 2' ' ' LYS . 37.5 mmtm -94.85 62.43 2.66 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.25 0.547 . . . . 0.0 109.776 175.058 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.755 ' HG3' ' HG3' ' A' ' 59' ' ' GLU . 3.5 tpt180 -75.13 129.84 38.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.949 -176.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.446 ' HE3' HD12 ' A' ' 35' ' ' LEU . 38.5 mmtm -77.65 125.3 29.13 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 176.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 66.0 mt -131.4 133.38 62.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 120.73 0.3 . . . . 0.0 110.74 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.58 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -112.53 129.2 68.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 172.232 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.416 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -134.97 139.98 45.33 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -175.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.8 t -118.33 129.02 75.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.12 178.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.523 ' HA ' ' O ' ' A' ' 64' ' ' ALA . 11.0 p -116.47 118.56 33.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.7 178.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.552 ' HA ' ' O ' ' A' ' 41' ' ' GLN . . . -133.64 123.47 25.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.765 0.317 . . . . 0.0 111.684 -177.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.554 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 52.7 t -131.04 -9.79 3.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.619 175.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.429 ' HB3' HG21 ' A' ' 67' ' ' THR . . . 56.28 -89.23 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.384 0.674 . . . . 0.0 112.25 179.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.0 p -89.04 95.22 10.23 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.033 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 140.91 69.12 0.03 OUTLIER Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -176.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.5 m -58.29 -30.12 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 122.285 0.234 . . . . 0.0 111.599 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.92 -35.48 78.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.014 0.435 . . . . 0.0 110.894 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -84.28 -31.19 25.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.821 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.554 ' OG1' ' HB3' ' A' ' 11' ' ' CYS . 24.4 m -70.91 -57.09 4.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.208 -177.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -67.5 -39.48 85.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.539 -176.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.698 ' HA ' HE21 ' A' ' 23' ' ' GLN . 37.7 ttp -64.96 -43.55 92.33 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.08 -178.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.39 96.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.918 0.39 . . . . 0.0 110.714 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.493 ' O ' ' HG3' ' A' ' 26' ' ' LYS . . . -62.99 -43.14 99.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.478 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.698 HE21 ' HA ' ' A' ' 20' ' ' MET . 29.7 pt20 -80.76 -31.31 35.93 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.299 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.34 -39.53 92.5 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 120.975 0.417 . . . . 0.0 110.24 178.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.544 ' HG ' ' HB2' ' A' ' 88' ' ' PRO . 3.0 mt -57.51 -43.6 84.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.617 172.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.493 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 63.4 mttp -60.55 -40.53 91.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.487 178.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.594 ' HG2' ' O ' ' A' ' 23' ' ' GLN . 75.7 mmtt -55.7 -55.8 27.95 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.811 179.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.79 -37.22 94.49 Favored Glycine 0 CA--C 1.519 0.301 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.704 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.2 -49.68 68.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.627 0.251 . . . . 0.0 111.362 -178.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 16.7 ptpt -69.57 -26.16 64.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.804 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.43 -43.02 95.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.198 0.523 . . . . 0.0 110.24 177.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 86.4 mtp -82.14 -14.22 56.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.263 177.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.8 35.97 12.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.137 -0.554 . . . . 0.0 113.144 174.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -104.51 172.79 6.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.701 0.286 . . . . 0.0 110.766 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.446 HD12 ' HE3' ' A' ' 4' ' ' LYS . 97.3 mt -112.09 110.75 21.21 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.436 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 15.1 tt -121.7 145.15 28.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.341 0.591 . . . . 0.0 111.968 -172.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -115.95 112.32 21.68 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.167 170.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.423 HG11 ' HA ' ' A' ' 22' ' ' ALA . 40.0 t -101.92 124.19 55.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.392 -177.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -95.71 123.66 39.38 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.606 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.802 ' HB ' ' HB3' ' A' ' 47' ' ' GLU . 18.0 m -86.78 107.12 18.13 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.589 ' OE1' HG12 ' A' ' 46' ' ' ILE . 54.2 tp60 -113.99 130.61 56.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.429 -176.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.12 -93.51 1.02 Allowed Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 172.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -125.03 -58.16 1.48 Allowed 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 173.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.3 m -126.9 6.25 6.62 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.743 0.782 . . . . 0.0 109.562 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.38 133.95 11.42 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.373 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.589 HG12 ' OE1' ' A' ' 41' ' ' GLN . 5.6 mt -116.61 141.66 33.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 -174.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.802 ' HB3' ' HB ' ' A' ' 40' ' ' THR . 32.1 tt0 -92.17 -42.28 9.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.137 0.494 . . . . 0.0 110.746 177.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -98.9 -57.81 2.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.387 -173.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.84 86.54 0.13 Allowed 'General case' 0 C--O 1.235 0.324 0 O-C-N 124.083 0.864 . . . . 0.0 109.692 -176.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.41 ' O ' ' HD2' ' A' ' 74' ' ' ARG . 6.3 mp -78.06 123.49 26.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.823 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.592 ' O ' HG23 ' A' ' 55' ' ' VAL . 67.6 p -88.49 163.57 15.86 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -173.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -55.23 -27.63 47.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.145 0.498 . . . . 0.0 109.833 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.521 ' O ' HG13 ' A' ' 57' ' ' ILE . 33.1 mmtp -61.44 -54.06 48.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.969 176.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -66.46 -43.47 85.43 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.562 0.696 . . . . 0.0 110.2 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 51' ' ' THR . 98.7 t -63.41 -32.25 55.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.518 -175.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.89 -15.72 57.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.55 0.214 . . . . 0.0 111.35 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' ' 53' ' ' LYS . 81.5 mt -77.59 -46.12 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.758 0.313 . . . . 0.0 110.193 178.173 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.43 ' HA3' HD12 ' A' ' 6' ' ' ILE . . . -59.35 144.71 45.29 Favored Glycine 0 CA--C 1.519 0.34 0 CA-C-N 115.971 -0.558 . . . . 0.0 113.329 179.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.755 ' HG3' ' HG3' ' A' ' 3' ' ' ARG . 4.1 mm-40 -78.57 -54.79 5.76 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.182 0.515 . . . . 0.0 110.087 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.45 ' HA ' HG13 ' A' ' 79' ' ' VAL . 20.7 m -123.69 155.0 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.262 -179.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.486 HG22 HD11 ' A' ' 6' ' ' ILE . 25.0 t -110.43 122.34 64.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.861 0.362 . . . . 0.0 110.542 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.416 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 69.4 mt -104.54 110.68 31.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.976 177.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.462 ' HE2' HG11 ' A' ' 69' ' ' VAL . 0.8 OUTLIER -103.16 96.52 6.84 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.825 -179.396 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.597 ' HA ' ' O ' ' A' ' 83' ' ' VAL . . . -96.49 89.7 5.12 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 173.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.96 139.12 41.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.005 -172.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.65 -4.51 10.27 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.135 175.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.447 ' HB ' ' H ' ' A' ' 68' ' ' LYS . 30.9 p -131.29 -160.74 1.07 Allowed 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.625 -177.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.447 ' H ' ' HB ' ' A' ' 67' ' ' THR . 51.8 tttp -75.62 143.71 42.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.785 -176.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.462 HG11 ' HE2' ' A' ' 63' ' ' PHE . 2.7 p -142.84 119.7 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.011 176.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -89.71 -25.24 21.29 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.741 -174.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -80.98 -6.51 58.85 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.054 -175.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -55.52 -23.75 28.06 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.477 0.656 . . . . 0.0 109.51 177.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.565 ' HB3' HH21 ' A' ' 74' ' ' ARG . 10.4 tp10 -41.13 -39.12 1.2 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 114.2 -1.364 . . . . 0.0 111.664 171.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.565 HH21 ' HB3' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -69.75 -55.31 10.23 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.019 0.438 . . . . 0.0 111.315 -179.031 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -79.94 3.58 19.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.914 -170.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -60.51 -39.54 88.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.911 0.386 . . . . 0.0 111.308 -170.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -95.48 14.74 64.51 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.627 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -110.36 -179.92 3.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.623 -0.339 . . . . 0.0 110.657 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.45 HG13 ' HA ' ' A' ' 60' ' ' VAL . 3.4 p -83.89 100.81 7.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.58 0.705 . . . . 0.0 110.35 -177.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 84.3 t -112.51 128.28 69.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.799 -173.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.8 tp -102.52 117.76 35.4 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 168.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -96.92 102.11 13.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.53 0.681 . . . . 0.0 110.36 -177.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.597 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -111.92 145.19 32.21 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.484 -177.157 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -57.11 143.63 92.49 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.749 2.3 . . . . 0.0 111.79 175.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 8.3 p -62.03 -22.01 27.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.635 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -171.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.2 m -74.68 -28.73 60.95 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.465 ' N ' ' HD2' ' A' ' 88' ' ' PRO . . . -60.58 -51.61 78.62 Favored Pre-proline 0 CA--C 1.542 0.64 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -170.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.544 ' HB2' ' HG ' ' A' ' 25' ' ' LEU . 37.1 Cg_endo -64.14 -5.86 10.29 Favored 'Trans proline' 0 C--N 1.356 0.957 0 C-N-CA 122.402 2.068 . . . . 0.0 113.76 -174.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 59.0 mt -82.33 -37.93 14.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.803 0.335 . . . . 0.0 110.409 179.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -96.07 -38.62 10.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.935 0.398 . . . . 0.0 111.417 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.802 ' HB3' ' HB3' ' A' ' 94' ' ' LYS . 30.4 m-20 -123.07 43.01 3.05 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.746 -170.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.733 ' O ' HG12 ' A' ' 95' ' ' VAL . . . -54.19 -47.12 72.43 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -64.83 -33.01 74.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.392 0.615 . . . . 0.0 110.183 178.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.802 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 38.0 ttmt -74.43 -39.1 62.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.207 -176.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.733 HG12 ' O ' ' A' ' 92' ' ' ALA . 3.6 p -66.07 -35.74 75.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.082 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.489 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 72.1 mt -62.5 -49.18 84.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.107 -0.952 . . . . 0.0 110.25 174.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -63.06 -34.57 77.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.065 178.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.44 96.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.821 178.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.88 -33.22 75.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.04 0.447 . . . . 0.0 110.563 177.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 96' ' ' ILE . 92.9 mt -66.04 -29.12 69.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.967 177.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.891 ' HA ' ' HA ' ' A' ' 105' ' ' GLU . . . -62.22 -22.9 66.32 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -178.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 102' ' ' LEU . 4.3 mm? -66.54 -39.34 88.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.685 -178.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 104' ' ' ASP . 28.2 pt -115.93 -45.51 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -177.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.421 ' N ' HG13 ' A' ' 103' ' ' ILE . 2.0 m-20 -84.65 -41.3 16.47 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.824 0.345 . . . . 0.0 110.295 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.891 ' HA ' ' HA ' ' A' ' 101' ' ' ALA . 39.2 tt0 59.86 82.91 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.666 -177.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt . . . . . 0 C--O 1.247 0.96 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.957 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 120.818 0.342 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -103.12 84.16 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.962 0.41 . . . . 0.0 110.661 178.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 -77.68 122.7 25.7 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 176.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.903 ' HD2' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -85.43 116.23 23.62 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.656 179.062 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.625 HG23 HG23 ' A' ' 60' ' ' VAL . 42.9 mt -126.26 132.83 70.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.141 -171.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.705 HG13 ' CE1' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -106.6 125.29 62.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 171.562 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -131.21 127.84 38.73 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.812 -175.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.3 t -110.72 122.07 64.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.151 0.5 . . . . 0.0 110.588 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.4 p -104.89 121.13 43.05 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.514 175.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.426 ' HB3' HG12 ' A' ' 65' ' ' VAL . . . -153.54 99.64 2.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.551 0.215 . . . . 0.0 111.124 -177.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.722 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 48.7 t -116.69 143.07 46.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.679 0.276 . . . . 0.0 110.7 -178.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.452 ' HB2' ' HB ' ' A' ' 67' ' ' THR . . . -102.25 -14.19 17.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.175 0.512 . . . . 0.0 110.205 177.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.2 m -68.28 -58.79 3.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.299 178.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.76 125.22 2.78 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.899 -178.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.3 t -65.19 -42.09 93.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.857 0.361 . . . . 0.0 111.2 -177.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.75 -31.43 72.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.067 0.46 . . . . 0.0 110.924 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.6 m170 -69.78 -40.84 75.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.882 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.666 HG22 HG23 ' A' ' 40' ' ' THR . 25.7 m -56.48 -49.74 73.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.894 177.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.43 ' O ' ' HG3' ' A' ' 23' ' ' GLN . 38.7 t80 -73.77 -42.22 61.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.468 -173.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.559 ' HE2' HD13 ' A' ' 89' ' ' ILE . 40.8 ttp -66.36 -29.32 69.47 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 121.191 -0.203 . . . . 0.0 111.088 -177.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.546 ' HA ' HG12 ' A' ' 89' ' ' ILE . . . -60.57 -44.35 96.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.729 0.299 . . . . 0.0 110.347 177.089 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.6 -39.35 93.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.994 179.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 19' ' ' TYR . 47.2 mt-30 -65.66 -48.82 70.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.134 -178.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.11 -40.06 82.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.969 0.414 . . . . 0.0 110.684 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.464 ' HA ' ' HB1' ' A' ' 92' ' ' ALA . 45.6 tp -61.1 -43.04 99.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.452 177.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -59.65 -45.33 92.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.265 176.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -56.39 -44.86 80.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.747 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.95 -40.72 95.46 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.669 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.79 -41.17 79.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.797 0.332 . . . . 0.0 110.852 -178.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -63.62 -38.99 93.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.312 176.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -63.66 -31.01 72.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.272 -0.877 . . . . 0.0 111.052 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 22.9 mmt -90.7 -17.76 26.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.989 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.54 34.46 11.8 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.1 -0.572 . . . . 0.0 112.942 177.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -98.71 -178.19 3.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.945 0.402 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.493 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 90.7 mt -117.31 97.57 5.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.549 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.7 tt -109.73 139.47 32.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.217 0.532 . . . . 0.0 111.224 -175.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.606 ' HG3' HD22 ' A' ' 50' ' ' LEU . 21.8 tptm -122.55 100.81 7.12 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 173.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.9 p -101.34 143.52 14.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.661 -173.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.801 ' HG3' ' H ' ' A' ' 49' ' ' GLU . 30.2 tt0 -120.4 126.77 51.29 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.654 177.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.666 HG23 HG22 ' A' ' 18' ' ' THR . 90.9 m -99.92 114.62 27.98 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 171.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.621 ' HG3' HG12 ' A' ' 46' ' ' ILE . 8.4 tt0 -117.87 98.74 6.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.276 0.56 . . . . 0.0 110.225 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.73 60.5 4.66 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.707 -0.758 . . . . 0.0 111.889 -178.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 59.54 88.65 0.07 Allowed 'General case' 0 C--O 1.234 0.242 0 C-N-CA 122.978 0.511 . . . . 0.0 110.796 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.3 m 77.06 -39.78 0.34 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.69 -178.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -77.88 96.95 1.34 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.603 178.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.621 HG12 ' HG3' ' A' ' 41' ' ' GLN . 39.5 mt -95.09 127.03 47.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 120.706 0.288 . . . . 0.0 110.714 -176.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -82.5 -42.71 18.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.427 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.467 ' HB2' ' HA ' ' A' ' 39' ' ' GLU . 8.9 m120 -108.95 -60.58 1.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.062 -172.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.801 ' H ' ' HG3' ' A' ' 39' ' ' GLU . 34.4 tt0 76.05 111.46 0.07 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.991 0.917 . . . . 0.0 111.22 -177.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.617 HD13 ' HB ' ' A' ' 6' ' ' ILE . 38.7 mt -86.2 116.47 24.41 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.867 176.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.52 ' O ' HG23 ' A' ' 55' ' ' VAL . 72.9 p -81.41 166.6 20.25 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 -179.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -55.02 -33.62 62.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.34 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.445 ' O ' HG12 ' A' ' 57' ' ' ILE . 88.6 mttt -66.47 -43.96 84.03 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.673 178.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -58.12 -43.42 87.19 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.391 0.615 . . . . 0.0 109.787 176.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.563 HG11 ' HG3' ' A' ' 74' ' ' ARG . 70.1 t -64.74 -37.03 79.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.597 -1.183 . . . . 0.0 112.117 -177.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -80.49 -19.02 46.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.348 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 53' ' ' LYS . 44.3 mm -84.6 -57.42 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.547 ' HA3' HG23 ' A' ' 6' ' ' ILE . . . -57.99 128.92 48.72 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.449 176.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.449 ' HG3' ' HG2' ' A' ' 4' ' ' LYS . 43.4 mt-10 -85.81 -60.02 2.14 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.843 0.354 . . . . 0.0 110.674 -175.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.65 ' HA ' HG13 ' A' ' 79' ' ' VAL . 20.2 m -93.96 141.08 15.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.615 -177.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.648 HG22 HD11 ' A' ' 6' ' ' ILE . 17.9 t -109.56 113.65 44.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.335 -177.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 63.7 mt -93.7 113.29 28.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.989 0.423 . . . . 0.0 110.014 177.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.431 ' HD1' ' HA ' ' A' ' 63' ' ' PHE . 2.1 m-85 -105.53 102.53 11.98 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.126 0.489 . . . . 0.0 111.038 179.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.651 ' HB1' ' HA ' ' A' ' 85' ' ' VAL . . . -108.26 90.03 3.17 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 171.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.426 HG12 ' HB3' ' A' ' 10' ' ' ALA . 18.2 m -137.7 161.59 33.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.712 0.768 . . . . 0.0 112.349 -169.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.722 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 17.7 t70 -137.24 -2.69 2.01 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.131 -1.395 . . . . 0.0 108.978 178.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.452 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 5.9 t -141.82 -171.51 3.36 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.85 -176.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm -72.84 156.66 38.66 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.204 0.526 . . . . 0.0 111.549 -177.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.81 ' HB ' ' HB2' ' A' ' 72' ' ' LYS . 56.1 t -129.07 121.33 53.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.361 173.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -74.79 -34.88 62.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.691 0.282 . . . . 0.0 111.43 -176.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.57 HD21 ' HG3' ' A' ' 49' ' ' GLU . 87.0 m-20 -82.39 -7.14 59.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.463 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.81 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 38.5 ttpt -55.34 -29.36 58.18 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 122.772 0.429 . . . . 0.0 111.977 -175.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -51.23 -33.61 28.68 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -175.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.563 ' HG3' HG11 ' A' ' 55' ' ' VAL . 7.5 ptp180 -87.17 -15.77 37.34 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -174.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.705 ' CE1' HG13 ' A' ' 6' ' ' ILE . 40.5 m-85 -88.91 3.7 50.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.849 0.357 . . . . 0.0 110.258 176.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -56.31 -51.88 66.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.457 -176.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -96.82 36.52 3.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.64 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -129.17 173.62 10.31 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.65 HG13 ' HA ' ' A' ' 60' ' ' VAL . 4.2 p -82.08 119.48 31.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.283 0.563 . . . . 0.0 110.979 -176.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.8 t -113.61 135.04 54.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.858 -173.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -111.4 115.34 29.1 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 173.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -96.13 120.4 36.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 -173.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.566 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 5.2 m -141.75 154.72 66.22 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.29 174.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.85 151.56 74.03 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.222 1.948 . . . . 0.0 110.737 173.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.651 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 9.1 p -62.7 -23.4 32.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.124 0.488 . . . . 0.0 110.958 -177.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.0 m -74.02 -19.44 60.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.75 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.597 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -71.63 -55.63 5.56 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -174.315 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.597 ' HD3' ' HB3' ' A' ' 87' ' ' ALA . 30.6 Cg_exo -62.89 -14.56 41.76 Favored 'Trans proline' 0 C--N 1.359 1.082 0 C-N-CA 122.491 2.127 . . . . 0.0 113.469 -174.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.559 HD13 ' HE2' ' A' ' 20' ' ' MET . 50.9 mt -73.6 -44.67 52.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.094 0.473 . . . . 0.0 110.57 179.06 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -96.47 -31.11 12.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.602 -178.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.58 ' HB3' ' HB2' ' A' ' 94' ' ' LYS . 20.6 m-20 -124.79 42.23 3.32 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -173.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.464 ' HB1' ' HA ' ' A' ' 25' ' ' LEU . . . -52.55 -52.04 56.82 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -178.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -61.72 -27.28 68.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.707 0.289 . . . . 0.0 111.367 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.58 ' HB2' ' HB3' ' A' ' 91' ' ' ASP . 30.4 mmtp -73.03 -46.86 49.55 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 91' ' ' ASP . 65.2 t -60.65 -40.12 83.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.073 -179.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 90.8 mt -61.52 -48.92 86.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.679 178.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -65.98 -28.96 69.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.38 -40.53 97.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.973 0.416 . . . . 0.0 110.68 178.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.75 -41.75 98.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.13 0.491 . . . . 0.0 110.316 177.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.75 -30.54 70.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.863 176.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.549 ' HA ' ' HA ' ' A' ' 105' ' ' GLU . . . -72.67 -21.56 61.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.275 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -82.04 -23.75 35.72 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.38 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 28.5 pt -101.77 -40.04 7.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -177.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -121.91 -25.42 5.0 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.805 -177.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.549 ' HA ' ' HA ' ' A' ' 101' ' ' ALA . 40.3 mt-10 65.76 89.65 0.1 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.34 0.591 . . . . 0.0 110.257 -173.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.5 tttp . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.356 -0.83 . . . . 0.0 110.024 -176.671 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.477 0.915 0 CA-C-O 120.914 0.388 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -85.24 94.5 8.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.086 0.469 . . . . 0.0 109.766 -179.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 1.017 ' HD2' ' HG3' ' A' ' 59' ' ' GLU . 21.4 tpp180 -69.82 128.51 36.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.468 -173.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.717 ' HD2' ' HB2' ' A' ' 35' ' ' LEU . 14.0 mmmm -86.12 125.45 33.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.99 0.424 . . . . 0.0 110.545 173.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 68.3 mt -125.48 131.88 71.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.707 176.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.713 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -102.62 126.92 56.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 173.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -131.15 112.17 12.61 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -176.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.418 ' HB ' ' CD1' ' A' ' 63' ' ' PHE . 60.3 t -96.48 120.07 45.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.152 0.501 . . . . 0.0 110.026 179.184 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.655 HG22 ' HB3' ' A' ' 64' ' ' ALA . 23.5 p -106.89 134.55 49.88 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.009 178.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.555 ' HA ' ' O ' ' A' ' 41' ' ' GLN . . . -152.65 154.46 35.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.721 0.296 . . . . 0.0 111.148 -178.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 1.07 ' HA ' ' HB3' ' A' ' 66' ' ' ASP . 40.1 t -163.69 142.93 8.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.775 175.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.29 -33.96 17.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.741 0.305 . . . . 0.0 111.096 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.8 p -105.47 -72.5 0.71 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -177.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.56 68.87 3.34 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.251 -0.499 . . . . 0.0 112.888 -175.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -64.32 -19.43 24.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.77 0.319 . . . . 0.0 111.705 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.02 -32.78 70.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.119 0.485 . . . . 0.0 110.607 175.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -72.82 -31.3 64.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.36 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.425 HG23 ' HB ' ' A' ' 9' ' ' THR . 22.7 m -61.65 -49.02 78.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.943 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -70.08 -33.35 71.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.344 -177.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.7 tpt -69.53 -44.91 70.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 0.0 110.629 177.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.407 ' HB1' ' HB2' ' A' ' 88' ' ' PRO . . . -60.2 -38.09 82.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.59 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.621 ' HA ' HG11 ' A' ' 38' ' ' VAL . . . -58.1 -47.3 83.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.091 178.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -67.36 -40.29 85.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.57 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.81 -46.31 65.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.397 -178.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.562 HD21 ' HB3' ' A' ' 88' ' ' PRO . 77.1 mt -60.55 -46.16 91.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.041 0.448 . . . . 0.0 110.868 177.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.61 ' HA ' HG21 ' A' ' 36' ' ' ILE . 85.6 tttt -61.84 -44.22 97.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.512 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.52 ' HB2' ' NZ ' ' A' ' 27' ' ' LYS . 2.6 ttmp? -61.48 -47.73 84.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.116 -177.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.85 -50.31 68.98 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.327 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.75 -44.67 96.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.525 0.202 . . . . 0.0 111.177 179.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -62.5 -35.56 79.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.049 178.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 31' ' ' LYS . 36.9 ttpt -67.95 -37.1 81.17 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.584 179.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.2 mmt -84.75 3.27 38.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.384 -178.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.58 14.06 68.91 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 120.838 -0.696 . . . . 0.0 113.089 175.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -97.78 170.43 8.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.021 0.439 . . . . 0.0 110.538 -178.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.717 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 87.3 mt -122.42 99.49 6.44 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.142 -179.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.61 HG21 ' HA ' ' A' ' 26' ' ' LYS . 15.0 tt -105.2 140.18 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.966 -177.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.468 ' HB3' HD22 ' A' ' 50' ' ' LEU . 5.8 tmtt? -115.88 105.49 12.73 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 175.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.621 HG11 ' HA ' ' A' ' 22' ' ' ALA . 34.7 t -92.28 120.23 41.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.103 -175.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.607 ' HB2' ' HG ' ' A' ' 50' ' ' LEU . 34.3 tt0 -95.12 139.08 31.96 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.197 178.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 25.0 m -117.61 112.83 21.07 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 120.891 0.377 . . . . 0.0 110.99 -176.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.555 ' O ' ' HA ' ' A' ' 10' ' ' ALA . 46.7 tt0 -115.11 134.72 54.91 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 177.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -107.83 -86.21 1.81 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.187 -1.006 . . . . 0.0 111.457 177.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -139.62 107.08 5.55 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.6 p 52.87 25.48 3.94 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.421 0.689 . . . . 0.0 111.7 -175.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.85 128.94 3.24 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.642 -0.583 . . . . 0.0 111.642 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.0 mt -118.0 122.8 70.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -178.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -88.36 -69.58 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.441 -175.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.561 ' HB2' ' HA ' ' A' ' 39' ' ' GLU . 75.4 m-20 -84.6 64.99 8.79 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.591 0.234 . . . . 0.0 110.813 -177.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -57.01 114.36 2.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.269 -178.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.607 ' HG ' ' HB2' ' A' ' 39' ' ' GLU . 81.8 mt -72.04 141.05 49.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.199 -178.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.463 ' O ' HG23 ' A' ' 55' ' ' VAL . 44.3 p -79.06 160.72 26.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.553 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -60.51 -38.55 84.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.313 0.578 . . . . 0.0 109.983 177.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.541 ' O ' HG12 ' A' ' 57' ' ' ILE . 47.0 mtmt -62.68 -49.09 76.49 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.905 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -59.56 -38.83 82.13 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.571 HG11 ' HG3' ' A' ' 74' ' ' ARG . 77.8 t -64.59 -42.76 96.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.331 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -73.56 -34.04 64.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.607 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.541 HG12 ' O ' ' A' ' 53' ' ' LYS . 46.4 mm -77.72 -35.97 21.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.033 0.444 . . . . 0.0 110.434 179.134 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.471 ' HA2' ' O ' ' A' ' 4' ' ' LYS . . . -64.57 131.69 37.83 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.17 176.102 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 1.017 ' HG3' ' HD2' ' A' ' 3' ' ' ARG . 6.1 mm-40 -78.04 -66.4 0.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.257 0.551 . . . . 0.0 109.985 -177.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.405 HG21 ' HB1' ' A' ' 99' ' ' ALA . 28.3 m -101.65 150.27 6.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.263 -176.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 20.4 t -110.24 114.75 47.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.057 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.9 mt -91.88 114.83 29.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.418 ' CD1' ' HB ' ' A' ' 8' ' ' VAL . 4.0 m-85 -103.85 95.41 6.0 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.788 0.328 . . . . 0.0 110.755 177.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.655 ' HB3' HG22 ' A' ' 9' ' ' THR . . . -97.28 89.81 4.88 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 171.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.444 ' HB ' ' H ' ' A' ' 66' ' ' ASP . 19.2 m -131.82 -169.11 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.456 0.646 . . . . 0.0 112.605 -167.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 1.07 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 23.4 t70 -157.71 -34.89 0.07 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.261 -1.336 . . . . 0.0 108.556 -174.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.6 t -117.12 -175.96 2.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.931 -1.031 . . . . 0.0 108.623 171.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -80.4 158.59 25.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.975 0.417 . . . . 0.0 110.735 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.8 m -113.7 156.71 14.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.085 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.569 ' O ' ' HG3' ' A' ' 73' ' ' GLU . 47.2 ttt180 -92.55 -39.58 11.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.105 0.479 . . . . 0.0 110.506 179.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.482 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 13.0 m-20 -68.81 -6.07 24.66 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.621 -172.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.487 ' HA ' ' HD2' ' A' ' 75' ' ' PHE . 21.2 pttp -49.77 -23.37 1.79 Allowed 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.104 0.253 . . . . 0.0 111.543 174.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.569 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 28.7 mt-10 -43.0 -50.32 5.91 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.285 0.634 . . . . 0.0 111.546 176.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.571 ' HG3' HG11 ' A' ' 55' ' ' VAL . 6.6 ptp180 -84.37 -25.15 29.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.544 -172.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.639 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 24.3 m-85 -81.13 -6.97 59.44 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.125 178.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -64.09 121.13 13.44 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 177.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.7 -12.03 64.52 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.501 -178.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.639 ' HD3' ' HA ' ' A' ' 75' ' ' PHE . 25.3 mtpp -93.32 172.62 8.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.67 0.271 . . . . 0.0 110.396 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.0 t -85.77 118.42 32.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -178.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.9 t -118.32 141.82 35.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.795 0.331 . . . . 0.0 111.679 -172.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -125.34 115.93 21.1 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 174.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.409 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 50.5 mt-10 -109.45 125.7 52.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.852 0.358 . . . . 0.0 111.898 -173.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.4 m -139.03 158.56 69.41 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.091 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.417 ' O ' ' HD3' ' A' ' 88' ' ' PRO . 34.9 Cg_exo -61.62 141.03 89.81 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.578 2.186 . . . . 0.0 111.149 174.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.453 ' O ' ' HD2' ' A' ' 88' ' ' PRO . 14.5 p -59.83 -27.97 39.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -176.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.7 m -74.15 -19.69 60.48 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.616 ' HB3' ' HD3' ' A' ' 88' ' ' PRO . . . -68.38 -54.85 13.5 Favored Pre-proline 0 CA--C 1.539 0.536 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -175.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.616 ' HD3' ' HB3' ' A' ' 87' ' ' ALA . 44.2 Cg_exo -58.68 -14.85 23.32 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 122.901 2.401 . . . . 0.0 114.052 -174.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 47.9 mt -60.08 -51.08 77.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.109 0.481 . . . . 0.0 110.171 176.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -96.92 -36.29 10.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.145 177.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.626 ' HB3' ' HB3' ' A' ' 94' ' ' LYS . 3.3 m-20 -98.21 33.41 2.19 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.816 -173.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.78 -51.23 64.11 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.67 0.271 . . . . 0.0 111.245 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -64.46 -33.07 75.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.188 -179.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.626 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 29.3 tptp -68.81 -40.93 79.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.804 -178.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 91' ' ' ASP . 74.4 t -70.16 -44.77 77.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.04 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.04 -44.65 99.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.741 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -67.23 -38.79 85.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.203 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.38 99.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.831 0.348 . . . . 0.0 110.837 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.405 ' HB1' HG21 ' A' ' 60' ' ' VAL . . . -62.24 -38.92 91.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.945 179.057 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 98.9 mt -74.71 -31.34 61.83 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.107 178.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.744 ' HA ' ' HA ' ' A' ' 105' ' ' GLU . . . -66.99 -37.98 85.19 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -175.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.494 HD12 HG23 ' A' ' 103' ' ' ILE . 2.3 pp -73.49 -5.86 42.76 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -176.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.494 HG23 HD12 ' A' ' 102' ' ' LEU . 23.1 pt -112.93 -33.38 2.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 120.963 0.411 . . . . 0.0 110.462 172.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -153.35 -79.26 0.1 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.137 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.744 ' HA ' ' HA ' ' A' ' 101' ' ' ALA . 37.6 tt0 176.35 -44.95 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? . . . . . 0 C--O 1.249 1.067 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.115 175.565 . . . . . . . . 0 0 . 1 stop_ save_