data_2kcq_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 2kcq _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 ' 1' ' ' MET . . . . . 0.46 ' HE1' HG21 ' A' ' 39' ' ' VAL . 22.4 ttt . . . . . 0 N--CA 1.476 0.843 0 CA-C-O 121.171 0.51 . . . . 0.0 111.265 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -90.24 137.21 32.53 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 170.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.484 HG23 HD21 ' A' ' 8' ' ' LEU . 8.9 t -154.73 149.32 26.39 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 120.87 0.367 . . . . 0.0 110.67 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.7 p -99.27 153.14 37.93 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.517 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.55 -35.09 65.55 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 123.378 2.718 . . . . 0.0 112.983 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.433 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 5.1 p-10 -65.04 -38.33 90.52 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.098 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.552 ' O ' HG13 ' A' ' 11' ' ' ILE . 40.4 mm -70.13 -44.61 77.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.746 0.308 . . . . 0.0 110.296 178.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.484 HD21 HG23 ' A' ' 3' ' ' THR . 88.2 mt -54.76 -43.26 72.58 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.588 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.621 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 24.1 t70 -68.47 -42.89 78.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.104 0.478 . . . . 0.0 110.39 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 50.3 mt-30 -59.93 -30.31 68.97 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.268 177.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 7' ' ' ILE . 76.4 mt -65.01 -50.48 74.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.458 0.171 . . . . 0.0 110.648 176.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.621 ' HG2' ' O ' ' A' ' 9' ' ' ASP . 4.8 ptm180 -65.61 -35.07 79.73 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 120.625 0.25 . . . . 0.0 110.792 -179.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 9' ' ' ASP . 93.6 t -65.28 -38.98 83.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 120.768 0.318 . . . . 0.0 110.554 176.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -65.22 -28.83 69.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.036 177.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.16 -40.7 96.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.344 174.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.52 -26.41 60.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.886 0.375 . . . . 0.0 110.48 176.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -74.16 -38.9 63.56 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.684 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.88 -44.66 72.81 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.938 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -69.03 149.77 97.71 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.22 -178.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -79.79 -2.52 39.13 Favored 'Cis proline' 0 C--N 1.345 0.365 0 C-N-CA 124.077 -1.218 . . . . 0.0 113.812 5.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -65.79 164.14 15.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.218 0.532 . . . . 0.0 111.342 -177.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -93.41 97.94 10.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.735 -177.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -151.18 142.4 9.48 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.697 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.2 p -102.48 -164.59 1.1 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 175.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.584 ' HA3' ' CZ ' ' A' ' 82' ' ' TYR . . . -141.99 150.02 21.67 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.208 -0.996 . . . . 0.0 112.214 178.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -109.7 148.16 31.87 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.833 0.349 . . . . 0.0 110.159 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.6 mt -103.88 113.96 27.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.04 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.511 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 66.7 mt -107.46 132.94 52.66 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 178.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.543 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . -169.02 -160.08 16.26 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 119.304 -1.427 . . . . 0.0 114.069 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.5 p -117.28 160.09 21.65 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.193 -0.503 . . . . 0.0 110.792 -176.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.4 t -90.81 115.35 29.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.0 p -69.33 162.92 26.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.476 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -63.4 -19.18 64.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.303 -176.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -75.31 -17.76 60.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.12 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.28 -2.06 59.23 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.485 -173.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -92.68 169.01 10.83 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -102.27 143.5 31.97 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.057 -0.402 . . . . 0.0 111.734 -176.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.543 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 66.8 ttt180 -115.6 127.59 55.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.863 170.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.46 HG21 ' HE1' ' A' ' 1' ' ' MET . 55.1 t -81.93 121.68 35.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 176.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.02 -22.58 6.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.163 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.511 ' HB1' ' HB2' ' A' ' 28' ' ' LEU . . . -133.8 148.61 51.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.432 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.0 mt -127.0 142.1 51.63 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.806 -177.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -150.37 122.65 8.38 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.943 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.447 ' HA ' ' HA2' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -91.53 139.65 30.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.525 -178.276 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 CA-C-O 121.351 0.596 . . . . 0.0 110.949 -179.803 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.7 t70 . . . . . 0 C--O 1.233 0.209 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -53.02 -46.1 68.24 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -64.33 -40.69 96.4 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-O 120.907 0.384 . . . . 0.0 111.243 -178.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.92 -38.41 90.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.613 176.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.19 -34.81 75.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.382 176.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.64 -46.3 90.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.363 176.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.52 -45.52 86.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.884 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.44 -33.34 74.61 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.801 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.441 ' HB1' ' HA ' ' A' ' 77' ' ' ASP . . . -61.65 -49.4 76.69 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.135 175.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -62.78 -36.45 83.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.005 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -58.93 -34.66 71.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.242 0.544 . . . . 0.0 111.565 175.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -92.49 -4.12 54.1 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.548 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.48 28.38 59.74 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.448 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.9 mt -125.64 -173.19 2.77 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.441 ' HA ' ' HB1' ' A' ' 71' ' ' ALA . 3.4 p-10 -147.78 176.27 10.26 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 169.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.4 t -80.83 105.57 10.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.267 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.4 m -95.3 -10.28 9.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.307 -176.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.468 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -174.14 176.64 46.55 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.434 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' A' ' 107' ' ' TYR . 4.0 t -139.39 156.64 27.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.584 ' CZ ' ' HA3' ' A' ' 25' ' ' GLY . 35.7 p90 -144.57 147.85 33.67 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.002 0.43 . . . . 0.0 110.711 177.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -147.29 142.47 27.2 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.403 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.679 ' HG ' HG11 ' A' ' 110' ' ' VAL . 5.1 m -106.11 141.5 37.38 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.016 -178.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.47 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 0.9 OUTLIER -144.16 143.53 22.8 Favored Pre-proline 0 C--N 1.321 -0.635 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.866 174.311 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 2.1 Cg_endo -83.43 63.14 7.48 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 123.087 2.525 . . . . 0.0 111.589 178.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -167.21 121.13 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.387 -0.824 . . . . 0.0 108.965 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 51.7 m80 66.25 141.87 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 O-C-N 124.055 0.847 . . . . 0.0 110.234 -168.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.568 ' O ' ' HB2' ' A' ' 111' ' ' SER . 37.5 Cg_exo -58.94 -56.07 1.62 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.63 2.22 . . . . 0.0 112.994 -178.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.423 ' HB1' ' OG1' ' A' ' 121' ' ' THR . . . -165.32 83.17 0.35 Allowed 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.414 -0.514 . . . . 0.0 112.242 -176.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -167.77 148.12 4.6 Favored Pre-proline 0 N--CA 1.45 -0.449 0 CA-C-N 115.419 -0.81 . . . . 0.0 108.972 170.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.67 149.84 89.89 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.827 2.351 . . . . 0.0 112.586 -178.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.2 t -97.25 -170.49 2.03 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.07 -49.46 36.28 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.693 -175.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.571 ' O ' ' HG2' ' A' ' 99' ' ' GLU . 15.7 m -67.05 -49.21 65.92 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -174.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -67.58 -30.0 69.5 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.849 -177.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.566 ' HG ' ' CE1' ' A' ' 132' ' ' PHE . 7.6 tt -64.12 -43.0 96.62 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.484 0.659 . . . . 0.0 109.25 171.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -68.6 -32.77 72.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.755 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 95' ' ' THR . 7.9 mm-40 -82.5 1.02 39.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.304 -178.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.72 94.28 3.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.16 0.505 . . . . 0.0 110.644 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.601 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 11.1 m -83.25 -18.12 40.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.805 -176.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -110.12 88.48 7.11 Favored Pre-proline 0 C--N 1.327 -0.373 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -173.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.601 ' HD3' ' O ' ' A' ' 101' ' ' THR . 13.2 Cg_exo -70.62 -0.69 8.02 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.958 2.439 . . . . 0.0 112.714 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -105.53 5.97 41.3 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.246 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.468 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 2.6 m-85 -104.93 153.24 21.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.808 0.337 . . . . 0.0 110.444 -179.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.404 HG23 ' HB2' ' A' ' 1' ' ' MET . 41.4 m -92.71 123.0 35.67 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.446 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 65.4 m-85 -101.23 117.12 34.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.465 -177.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.557 ' HB ' ' HB3' ' A' ' 82' ' ' TYR . 64.2 t -96.32 126.25 49.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-O 121.292 0.568 . . . . 0.0 110.345 178.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.3 mm -109.67 123.76 65.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 176.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.679 HG11 ' HG ' ' A' ' 84' ' ' SER . 2.4 p -128.9 137.66 56.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 121.284 0.564 . . . . 0.0 110.538 -174.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.568 ' HB2' ' O ' ' A' ' 89' ' ' PRO . 34.6 t -80.53 106.8 12.81 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.595 -178.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 116' ' ' ALA . 69.1 t -125.8 114.43 39.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 172.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 49.2 ttp85 -107.01 92.9 4.27 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.165 -176.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 33.7 t70 60.43 29.92 19.38 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.085 176.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 119.1 -19.11 10.19 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.911 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' A' ' 112' ' ' VAL . . . -91.1 110.77 44.58 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.668 0.234 . . . . 0.0 111.314 -179.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.401 ' CB ' ' HB2' ' A' ' 12' ' ' ARG . 1.7 Cg_endo -83.89 115.24 2.05 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 123.348 2.699 . . . . 0.0 112.003 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.528 ' HB3' ' HB3' ' A' ' 111' ' ' SER . 43.2 tt0 -95.71 -74.26 0.56 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.721 -174.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -137.8 155.37 49.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.614 0.245 . . . . 0.0 111.273 -175.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.468 ' HG ' ' CG2' ' A' ' 110' ' ' VAL . 5.0 mp -119.25 144.17 46.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.719 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.423 ' OG1' ' HB1' ' A' ' 90' ' ' ALA . 28.7 p -138.41 143.31 39.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.702 -0.227 . . . . 0.0 110.512 176.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.75 134.35 52.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.862 0.363 . . . . 0.0 110.387 178.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -129.01 143.5 50.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.946 -175.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -108.92 129.06 55.42 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.7 176.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.563 HD23 ' HA ' ' A' ' 103' ' ' PRO . 55.2 tp -81.12 134.53 35.66 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.7 142.27 94.64 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.325 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -59.88 -26.37 82.1 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.909 2.406 . . . . 0.0 112.601 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -86.51 -11.13 52.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.306 176.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 129' ' ' ARG . 12.4 ttp180 55.59 71.76 0.53 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.87 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 70.6 m -118.14 -32.81 4.6 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.114 172.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.52 ' HA ' HD11 ' A' ' 97' ' ' LEU . 11.4 pt-20 -162.59 -178.89 6.51 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.567 -179.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.566 ' CE1' ' HG ' ' A' ' 97' ' ' LEU . 46.5 m-85 -106.39 154.04 21.38 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.078 178.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -124.27 145.88 49.11 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 175.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 10.8 tpt85 -82.23 133.62 35.26 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 121.257 0.551 . . . . 0.0 110.88 -173.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -117.51 149.55 40.42 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 175.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -86.4 154.53 21.11 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -176.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 47.7 mm -82.92 112.76 21.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 16.5 m -116.99 134.36 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.798 0 CA-C-O 121.65 0.738 . . . . 0.0 111.333 -176.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 67.8 mtm180 -83.55 145.63 48.31 Favored Pre-proline 0 C--N 1.313 -1.0 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.467 174.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -58.27 144.25 96.04 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.062 1.841 . . . . 0.0 111.102 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.144 179.797 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.457 ' H3 ' ' CG ' ' A' ' 36' ' ' ASP . 24.9 ttt . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.878 0.371 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -108.18 126.04 52.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.232 174.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.453 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 14.0 t -157.26 169.52 24.58 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.477 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 78.3 p -104.0 152.52 39.09 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.012 -176.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.36 -28.54 86.99 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.78 2.32 . . . . 0.0 111.808 176.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.4 -49.42 76.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.755 177.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.49 HG22 HD11 ' A' ' 42' ' ' LEU . 35.9 mm -63.66 -42.91 97.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.336 178.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.1 mt -58.28 -44.97 88.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.325 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.654 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 8.7 t70 -66.5 -38.86 88.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.13 0.49 . . . . 0.0 110.226 -178.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -60.4 -37.77 81.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.277 175.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 7' ' ' ILE . 83.0 mt -63.85 -49.08 83.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.304 178.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.654 ' HG2' ' O ' ' A' ' 9' ' ' ASP . 4.9 ptm180 -62.33 -32.68 73.48 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.548 0.213 . . . . 0.0 111.116 -177.012 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 9' ' ' ASP . 97.6 t -67.83 -34.16 65.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.684 0.278 . . . . 0.0 110.686 178.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -63.36 -28.7 70.17 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.005 -177.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.524 ' HA3' HG23 ' A' ' 112' ' ' VAL . . . -65.71 -45.92 86.35 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.177 178.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.97 -30.62 62.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.296 0.57 . . . . 0.0 110.607 178.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -58.59 -38.58 78.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.52 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.44 20.08 11.93 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.707 -175.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.502 ' CE2' ' HA ' ' A' ' 114' ' ' ASP . 16.6 t80 -41.84 129.79 2.49 Favored Pre-proline 0 N--CA 1.476 0.847 0 C-N-CA 122.922 0.489 . . . . 0.0 112.003 -177.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -79.96 -21.24 18.05 Favored 'Cis proline' 0 C--N 1.347 0.478 0 C-N-CA 123.026 -1.656 . . . . 0.0 112.093 -0.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 178.31 134.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.37 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -118.59 2.23 11.73 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 172.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.531 ' HA3' ' O ' ' A' ' 45' ' ' ALA . . . 147.48 153.11 5.83 Favored Glycine 0 N--CA 1.437 -1.243 0 CA-C-N 113.924 -1.489 . . . . 0.0 110.583 -175.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.529 ' HB3' ' O ' ' A' ' 82' ' ' TYR . 82.1 m -93.23 -164.39 1.17 Allowed 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.51 ' HA3' ' CZ ' ' A' ' 82' ' ' TYR . . . -137.7 155.05 22.91 Favored Glycine 0 N--CA 1.441 -1.03 0 C-N-CA 120.039 -1.077 . . . . 0.0 111.969 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -107.81 148.23 29.81 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.975 -0.379 . . . . 0.0 109.975 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.3 mt -93.99 115.17 27.49 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.479 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.533 HD22 ' HB2' ' A' ' 71' ' ' ALA . 59.4 mt -103.76 132.62 49.85 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -178.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 178.24 -151.1 10.27 Favored Glycine 0 N--CA 1.441 -1.021 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.476 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 0.9 OUTLIER -136.8 158.42 44.48 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 120.879 0.371 . . . . 0.0 111.08 179.588 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.9 t -89.6 124.43 42.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 51.1 p -70.34 164.95 23.41 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.981 -176.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.94 -21.19 66.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.735 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -71.38 -34.27 70.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.332 176.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.22 -3.8 20.36 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.615 -176.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.457 ' CG ' ' H3 ' ' A' ' 1' ' ' MET . 19.4 t70 -88.19 153.53 21.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.888 0.375 . . . . 0.0 110.444 -178.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.439 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 78.7 m-20 -94.33 128.71 40.99 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.675 -175.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.476 ' HG2' ' O ' ' A' ' 30' ' ' THR . 33.4 ptt180 -114.8 143.24 45.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.288 0.565 . . . . 0.0 110.032 176.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.1 t -110.23 121.64 63.42 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.347 -174.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -115.05 -19.2 10.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.603 -178.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.507 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -148.49 166.73 27.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.932 0.396 . . . . 0.0 111.387 -177.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.49 HD11 HG22 ' A' ' 7' ' ' ILE . 97.6 mt -131.92 143.58 50.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.254 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.495 ' HB2' HD12 ' A' ' 28' ' ' LEU . 21.1 t60 -130.86 135.33 47.61 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 174.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 44' ' ' ARG . 21.3 ttt180 -86.84 135.91 33.16 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.594 -178.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.531 ' O ' ' HA3' ' A' ' 23' ' ' GLY . . . . . . . . 0 C--N 1.321 -0.635 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 173.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 C--O 1.236 0.357 0 CA-C-O 121.104 0.478 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -57.26 -40.76 78.34 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.937 177.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -60.57 -36.96 79.76 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 120.649 0.262 . . . . 0.0 111.275 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.42 -38.31 71.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.87 0.367 . . . . 0.0 110.587 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.94 -42.47 89.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.384 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.75 -41.68 87.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.031 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.629 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -60.64 -52.08 66.65 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.395 176.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.72 -33.56 75.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.765 0.317 . . . . 0.0 111.195 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.533 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -63.98 -52.35 60.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.635 178.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -66.21 -31.92 73.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.803 -0.181 . . . . 0.0 110.771 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.629 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 37.9 mt-10 -58.08 -40.23 80.54 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.203 0.525 . . . . 0.0 110.648 174.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -88.0 -2.14 58.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.702 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.78 18.71 62.98 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.658 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.1 mt -116.39 -173.81 2.44 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 -177.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -148.55 173.9 12.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.702 172.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.2 t -84.04 111.36 19.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.951 0.405 . . . . 0.0 110.29 -176.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.439 ' HB ' ' HB3' ' A' ' 37' ' ' ASN . 27.6 m -100.39 -1.76 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.5 -177.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.429 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . 173.86 -176.15 46.38 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.019 -1.086 . . . . 0.0 113.015 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 107' ' ' TYR . 4.0 t -140.73 158.29 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.531 ' HB3' ' HB ' ' A' ' 108' ' ' VAL . 42.4 p90 -132.65 137.94 47.16 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.084 175.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.406 ' HD2' ' SG ' ' A' ' 24' ' ' CYS . 40.8 m80 -112.92 149.66 32.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.323 -178.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.3 m -105.7 127.14 52.9 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 176.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -124.66 86.16 55.96 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -175.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.479 ' HA ' ' O ' ' A' ' 112' ' ' VAL . 5.8 Cg_exo -79.51 63.25 8.71 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.431 2.088 . . . . 0.0 109.579 167.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -156.06 -72.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.362 -169.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.447 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 57.4 m170 -115.03 144.19 31.6 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 175.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 88' ' ' HIS . 15.0 Cg_exo -68.88 95.96 0.5 Allowed 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.89 2.393 . . . . 0.0 113.86 -173.037 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.46 ' HB2' ' HB2' ' A' ' 111' ' ' SER . . . 61.79 25.05 15.02 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.473 -0.785 . . . . 0.0 113.042 168.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -131.07 152.58 80.9 Favored Pre-proline 0 C--N 1.32 -0.69 0 O-C-N 122.059 -0.401 . . . . 0.0 110.334 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -73.85 -175.28 2.04 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.886 2.391 . . . . 0.0 113.841 -174.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.0 m -150.28 -179.45 7.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.061 -0.972 . . . . 0.0 108.837 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.45 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -59.89 -48.62 80.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.588 0.232 . . . . 0.0 111.156 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.6 m -61.77 -35.23 77.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.049 0.452 . . . . 0.0 111.171 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -66.6 -41.37 88.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.546 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.2 -39.27 86.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.834 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 44.8 mt-10 -58.49 -27.24 64.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.19 178.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -93.27 -13.51 28.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.025 0.441 . . . . 0.0 110.608 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.81 57.88 4.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.137 -178.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.564 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 3.1 m -101.42 12.22 37.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.486 0.66 . . . . 0.0 109.979 177.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -109.67 88.05 6.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.241 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.564 ' HD3' ' O ' ' A' ' 101' ' ' THR . 17.3 Cg_exo -66.15 142.17 66.33 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.579 2.186 . . . . 0.0 111.762 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.2 -21.81 43.87 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.978 -0.63 . . . . 0.0 111.575 -178.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.429 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 17.5 m-85 -83.93 141.65 31.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.03 0.443 . . . . 0.0 110.529 179.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.0 m -95.84 126.78 41.34 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.884 177.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.415 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 90.0 m-85 -103.32 119.46 38.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.848 0.356 . . . . 0.0 110.512 -175.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.531 ' HB ' ' HB3' ' A' ' 82' ' ' TYR . 61.9 t -102.43 126.02 56.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-O 121.149 0.499 . . . . 0.0 110.372 178.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 75.8 mt -114.41 121.43 66.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.886 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.416 HG21 ' HA ' ' A' ' 12' ' ' ARG . 7.2 p -104.0 131.51 52.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.403 0.621 . . . . 0.0 110.792 -179.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.46 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 19.4 t -83.64 107.07 15.85 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.351 178.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.524 HG23 ' HA3' ' A' ' 15' ' ' GLY . 61.4 t -118.45 117.3 54.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -113.04 92.04 3.87 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.866 0.365 . . . . 0.0 110.457 -177.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.502 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 37.5 t70 49.48 65.64 1.34 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.812 176.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.442 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 87.93 -16.34 51.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.886 176.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -103.9 105.23 47.3 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 122.43 -0.453 . . . . 0.0 111.391 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.5 ' CB ' ' HB2' ' A' ' 12' ' ' ARG . 3.7 Cg_exo -77.01 104.87 1.98 Allowed 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.785 2.324 . . . . 0.0 111.153 175.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -70.49 -72.49 0.2 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.261 -175.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -148.81 158.57 44.25 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.984 -175.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.545 HD12 ' HB3' ' A' ' 12' ' ' ARG . 5.6 mp -109.34 133.09 53.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.571 176.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.417 ' OG1' ' HB3' ' A' ' 90' ' ' ALA . 17.5 p -127.77 140.79 51.84 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.901 178.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.55 144.0 38.44 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.129 0.49 . . . . 0.0 110.035 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -132.11 141.51 49.18 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.011 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.8 139.57 39.39 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.708 177.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.469 HD21 ' HA ' ' A' ' 103' ' ' PRO . 60.9 tp -80.77 131.25 35.4 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.037 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.92 138.18 93.85 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 176.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.04 -33.76 64.5 Favored 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 123.128 2.552 . . . . 0.0 113.126 -177.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.401 ' C ' ' HD2' ' A' ' 129' ' ' ARG . 8.1 t70 -85.79 6.31 28.57 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.996 0.427 . . . . 0.0 110.796 -178.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.401 ' HD2' ' C ' ' A' ' 128' ' ' ASP . 1.0 OUTLIER 61.46 26.97 16.63 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.604 -179.525 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 34.7 t -81.96 -47.75 12.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.677 -174.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -152.22 -175.48 5.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.128 0.49 . . . . 0.0 111.754 -172.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -105.5 147.45 28.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.726 174.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -124.03 147.96 47.42 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.919 0.39 . . . . 0.0 110.065 175.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 134' ' ' ARG . 9.3 tpt180 -70.3 135.09 48.59 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.804 -178.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -120.22 153.42 36.32 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.542 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -106.27 128.56 54.06 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.409 -178.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 137' ' ' ILE . 4.0 mp -83.68 114.95 25.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.101 0.477 . . . . 0.0 110.282 -175.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -109.54 154.95 10.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.381 -178.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -90.52 159.18 41.83 Favored Pre-proline 0 C--N 1.312 -1.038 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.736 175.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 3' ' ' THR . 39.1 Cg_exo -57.74 130.82 40.55 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 122.114 1.876 . . . . 0.0 110.52 171.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.327 -0.411 0 O-C-N 123.738 0.648 . . . . 0.0 110.631 -178.509 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.44 ' HE3' HG21 ' A' ' 39' ' ' VAL . 24.8 ttt . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.826 0.346 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.518 ' HG2' ' HB3' ' A' ' 140' ' ' PRO . 13.7 mptt -112.0 137.49 49.95 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 176.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.9 t -158.45 173.62 16.35 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.119 -176.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.3 p -107.48 151.85 41.12 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.294 -178.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.533 ' HA ' HD13 ' A' ' 8' ' ' LEU . 16.9 Cg_endo -57.88 -33.15 96.66 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.482 2.788 . . . . 0.0 113.073 -178.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.412 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -59.63 -39.98 86.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.267 179.06 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.476 ' O ' HG13 ' A' ' 11' ' ' ILE . 51.0 mm -68.45 -41.54 83.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 176.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.533 HD13 ' HA ' ' A' ' 5' ' ' PRO . 79.0 mt -56.5 -46.73 80.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.078 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.516 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 11.0 t70 -66.41 -37.14 84.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.405 -177.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 46.5 mt-30 -61.27 -36.2 79.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.073 175.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 7' ' ' ILE . 75.6 mt -65.93 -49.84 74.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.068 178.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.516 ' HG2' ' HA ' ' A' ' 9' ' ' ASP . 2.0 ptm180 -64.52 -38.3 90.52 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.082 -178.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.1 t -69.05 -45.97 79.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.661 0.267 . . . . 0.0 110.51 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -65.25 -32.75 74.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.828 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.79 -46.61 91.38 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.991 177.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.07 -27.52 63.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.849 0.357 . . . . 0.0 111.034 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -73.8 -39.22 64.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.306 -177.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.4 -35.84 53.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.969 -176.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.444 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 3.8 m-85 -65.71 162.13 46.68 Favored Pre-proline 0 C--N 1.33 -0.269 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -174.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.87 -8.98 9.13 Favored 'Cis proline' 0 C--N 1.354 0.823 0 C-N-CA 124.1 -1.208 . . . . 0.0 114.632 5.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.444 ' O ' ' HA ' ' A' ' 19' ' ' TYR . 41.9 mt-10 -75.62 157.58 33.58 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 176.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -92.35 133.59 35.72 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.073 0.463 . . . . 0.0 110.982 -177.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.54 -63.29 1.23 Allowed Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 176.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 44' ' ' ARG . 63.2 m 62.68 176.38 0.14 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.179 0.514 . . . . 0.0 112.032 175.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.404 ' HA3' ' O ' ' A' ' 43' ' ' HIS . . . 145.12 -164.82 27.88 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.262 177.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.415 ' HA ' ' HA ' ' A' ' 81' ' ' VAL . 96.0 m-85 -108.73 160.49 15.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.058 0.456 . . . . 0.0 111.158 -177.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.6 mt -104.03 127.42 51.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.599 176.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.543 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 72.3 mt -108.0 145.27 34.14 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.896 0.379 . . . . 0.0 110.521 -176.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.441 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . 176.93 -153.35 13.66 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.699 179.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.2 p -121.28 152.31 39.05 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.716 0.293 . . . . 0.0 110.727 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.0 t -92.78 134.27 31.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.031 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.473 ' C ' ' H ' ' A' ' 34' ' ' ASP . 8.1 t -115.82 140.08 49.57 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 178.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.445 ' HB3' ' O ' ' A' ' 32' ' ' THR . 28.7 t70 72.79 -12.34 0.77 Allowed 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.508 0.505 . . . . 0.0 111.159 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.473 ' H ' ' C ' ' A' ' 32' ' ' THR . 20.2 t70 75.48 12.73 3.13 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.9 -172.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -125.71 -44.75 0.25 Allowed Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.145 -0.934 . . . . 0.0 112.772 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -102.24 172.21 7.03 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -177.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.757 ' HB2' ' HB ' ' A' ' 79' ' ' VAL . 8.3 p30 -128.98 142.24 50.99 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.16 0.505 . . . . 0.0 111.541 -174.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.459 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 37.9 ttt180 -115.87 105.89 13.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.624 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.44 HG21 ' HE3' ' A' ' 1' ' ' MET . 49.0 t -84.49 122.62 38.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.681 -176.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -134.62 2.95 3.24 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -176.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.543 ' HB1' ' HB2' ' A' ' 28' ' ' LEU . . . -154.07 150.14 27.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.775 0.322 . . . . 0.0 111.307 179.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.3 mt -109.19 157.02 19.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.178 0.513 . . . . 0.0 111.404 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.404 ' O ' ' HA3' ' A' ' 25' ' ' GLY . 73.6 t60 -141.21 135.69 30.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.665 174.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 15.9 ptt180 -107.23 140.35 40.25 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 178.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.407 ' HA ' ' OD1' ' A' ' 63' ' ' ASP . . . . . . . . 0 C--N 1.331 -0.207 0 O-C-N 123.75 0.656 . . . . 0.0 111.78 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.407 ' OD1' ' HA ' ' A' ' 45' ' ' ALA . 36.3 t70 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.584 0.23 . . . . 0.0 111.293 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -60.1 -45.97 91.17 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 120.882 0.372 . . . . 0.0 110.062 178.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -61.11 -39.32 89.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.898 177.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.68 -37.55 79.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.045 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.08 -42.74 84.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.314 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.463 ' O ' ' HG2' ' A' ' 72' ' ' GLN . 33.6 t70 -69.36 -40.15 77.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.648 -178.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.516 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -60.4 -53.68 54.72 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.949 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.13 -32.47 74.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.97 0.414 . . . . 0.0 110.401 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.478 ' HB3' HD23 ' A' ' 28' ' ' LEU . . . -62.86 -52.26 63.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.81 177.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 10.2 pt20 -66.89 -32.35 73.56 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.881 -178.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 73.9 mt-10 -59.97 -39.97 87.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.257 0.551 . . . . 0.0 110.941 173.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -87.61 -0.24 56.58 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.894 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.89 29.81 64.5 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.251 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.5 mt -126.32 -177.25 3.91 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -178.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -142.23 175.88 9.41 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 173.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.3 t -81.3 111.84 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.131 -178.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.757 ' HB ' ' HB2' ' A' ' 37' ' ' ASN . 29.3 m -106.1 -13.01 9.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.67 -176.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -165.12 -178.74 38.59 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.185 -1.007 . . . . 0.0 112.719 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.415 ' HA ' ' HA ' ' A' ' 26' ' ' PHE . 2.9 t -139.67 157.04 26.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -139.4 136.2 34.45 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.468 0.651 . . . . 0.0 110.849 174.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -144.8 131.78 20.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.007 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.6 p -105.49 154.38 20.44 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.108 0.48 . . . . 0.0 111.271 -174.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 49.3 m80 -114.8 143.34 29.87 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 175.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 8.3 Cg_exo -72.91 84.27 1.3 Allowed 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.603 2.202 . . . . 0.0 111.581 177.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.461 ' CG ' ' HE ' ' A' ' 113' ' ' ARG . 48.3 t0 59.89 90.4 0.06 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.705 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.542 ' HB3' ' HD2' ' A' ' 89' ' ' PRO . 4.9 m170 -155.93 166.54 16.15 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.351 -0.841 . . . . 0.0 108.928 178.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.542 ' HD2' ' HB3' ' A' ' 88' ' ' HIS . 24.2 Cg_endo -61.31 5.35 0.18 Allowed 'Trans proline' 0 N--CA 1.486 1.048 0 C-N-CA 123.278 2.652 . . . . 0.0 115.257 -172.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 70.44 -5.67 1.33 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.736 0.814 . . . . 0.0 113.09 173.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.03 145.65 30.2 Favored Pre-proline 0 C--N 1.312 -1.032 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 174.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_exo -61.18 135.61 59.49 Favored 'Trans proline' 0 C--O 1.236 0.4 0 C-N-CA 122.787 2.324 . . . . 0.0 112.725 -176.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.2 m -86.17 179.44 6.94 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 173.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.676 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -58.38 -47.95 82.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.664 0.268 . . . . 0.0 110.838 179.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.495 ' HA ' ' OE1' ' A' ' 98' ' ' GLU . 87.4 m -65.85 -33.05 74.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.808 -178.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -59.82 -41.47 91.38 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.14 0.495 . . . . 0.0 110.051 176.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.9 tt -69.3 -39.04 78.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.963 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.676 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 55.8 mt-10 -59.94 -40.05 87.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.933 -177.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 95' ' ' THR . 14.9 pt-20 -91.63 -10.48 40.24 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.368 -179.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.92 91.37 6.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.095 0.474 . . . . 0.0 110.11 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.9 m -119.99 26.8 9.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.398 0.618 . . . . 0.0 110.307 -177.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.593 ' HB2' ' HH ' ' A' ' 107' ' ' TYR . 90.4 m-85 -113.19 86.92 10.09 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.674 -178.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -71.8 143.05 40.57 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.562 2.175 . . . . 0.0 112.236 -178.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.76 -19.91 52.47 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.996 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -91.88 143.72 26.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.873 0.368 . . . . 0.0 110.478 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 36.6 m -92.73 126.58 37.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.011 176.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.593 ' HH ' ' HB2' ' A' ' 102' ' ' PHE . 96.6 m-85 -96.66 114.82 26.5 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.616 -178.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 67.8 t -97.76 116.61 40.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 121.232 0.539 . . . . 0.0 109.987 174.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.1 mt -110.61 125.27 67.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.778 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.678 ' HB ' HD21 ' A' ' 120' ' ' LEU . 5.1 p -117.39 139.93 42.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.322 178.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.0 t -95.66 106.75 18.88 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.383 176.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.465 ' HA ' ' HA ' ' A' ' 117' ' ' PRO . 22.7 t -108.41 116.59 52.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.09 0.471 . . . . 0.0 109.813 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.461 ' HE ' ' CG ' ' A' ' 87' ' ' ASP . 43.0 ttm180 -94.11 88.43 5.64 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.459 -176.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 37.9 t70 64.5 11.85 6.93 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.937 174.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.47 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 137.27 -22.65 3.21 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.911 -178.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -99.85 105.87 37.34 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.648 0.261 . . . . 0.0 111.339 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.47 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 5.7 Cg_exo -74.46 113.97 3.92 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.933 2.422 . . . . 0.0 111.323 176.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -88.9 -68.16 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.172 -177.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -110.87 129.7 55.79 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.979 -174.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.678 HD21 ' HB ' ' A' ' 110' ' ' VAL . 15.5 mt -104.94 121.2 43.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.424 171.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 20.0 p -132.27 135.15 46.04 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.687 0.279 . . . . 0.0 110.643 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.92 142.19 41.6 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -134.64 137.69 43.86 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.921 -174.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.68 126.85 52.16 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.941 176.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 64.7 tp -84.68 119.36 25.16 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.75 143.79 98.78 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.814 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo -58.21 -24.74 68.64 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.491 2.127 . . . . 0.0 111.23 176.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -68.73 -22.91 64.3 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.374 176.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 52.12 35.56 16.8 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 114.842 -1.072 . . . . 0.0 112.798 176.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 64.3 m -97.17 -12.35 23.16 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 121.791 -0.568 . . . . 0.0 110.527 173.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -171.75 172.9 4.75 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.452 0.644 . . . . 0.0 110.957 -177.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -106.3 156.48 18.45 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.877 -1.056 . . . . 0.0 108.317 173.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -122.68 140.45 52.84 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 120.944 0.402 . . . . 0.0 109.975 178.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -62.59 136.6 57.97 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.301 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -131.72 156.95 45.02 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.79 -1.096 . . . . 0.0 108.18 177.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -126.26 163.3 23.5 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.084 0.469 . . . . 0.0 110.194 178.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.459 HG22 HD11 ' A' ' 8' ' ' LEU . 50.4 mm -84.03 114.73 25.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 2.4 m -121.12 134.26 65.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -175.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 34.3 mtm-85 -93.1 104.79 12.87 Favored Pre-proline 0 C--N 1.319 -0.742 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 170.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.518 ' HB3' ' HG2' ' A' ' 2' ' ' LYS . 61.6 Cg_endo -71.23 154.88 61.53 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 123.071 2.514 . . . . 0.0 114.607 -165.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.326 -0.852 . . . . 0.0 108.756 170.911 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.466 ' HB2' HG23 ' A' ' 106' ' ' THR . 24.9 ttt . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 120.663 0.268 . . . . 0.0 111.296 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 138' ' ' VAL . 13.8 mptt -110.19 124.42 51.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.718 176.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.455 ' O ' ' HA ' ' A' ' 139' ' ' ARG . 10.1 t -159.52 173.75 15.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.476 175.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.6 p -96.06 153.88 39.03 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-O 121.049 0.452 . . . . 0.0 111.287 -177.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.425 ' HA ' HD12 ' A' ' 8' ' ' LEU . 14.1 Cg_endo -58.36 -26.59 78.05 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.021 2.481 . . . . 0.0 111.971 175.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -59.7 -48.93 79.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.272 176.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.612 ' O ' HG13 ' A' ' 11' ' ' ILE . 39.8 mm -61.88 -42.92 96.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.179 176.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.611 HD21 HG21 ' A' ' 137' ' ' ILE . 91.7 mt -56.32 -40.91 75.15 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.531 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.532 ' HA ' ' NH1' ' A' ' 12' ' ' ARG . 13.9 t70 -66.7 -44.04 82.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.06 0.457 . . . . 0.0 109.825 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -63.9 -30.9 71.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.58 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.612 HG13 ' O ' ' A' ' 7' ' ' ILE . 73.2 mt -61.63 -40.85 88.12 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-O 120.81 0.338 . . . . 0.0 110.323 176.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.532 ' NH1' ' HA ' ' A' ' 9' ' ' ASP . 55.0 mtm-85 -65.64 -39.76 91.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 0.0 110.149 177.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.6 t -56.35 -38.63 56.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.41 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -31.9 63.47 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 177.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.4 -50.19 69.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.892 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.27 -42.73 54.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.851 0.358 . . . . 0.0 111.319 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.68 -38.8 92.22 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.869 -173.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.635 ' HB1' ' HG2' ' A' ' 22' ' ' GLU . . . -82.7 -33.01 27.74 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.491 -174.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.405 ' HE2' ' HA ' ' A' ' 114' ' ' ASP . 0.8 OUTLIER -52.58 139.12 40.04 Favored Pre-proline 0 C--N 1.332 -0.178 0 O-C-N 123.317 0.385 . . . . 0.0 110.837 -175.642 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -90.59 -2.88 56.88 Favored 'Cis proline' 0 CA--C 1.535 0.544 0 C-N-CA 123.729 -1.363 . . . . 0.0 114.292 3.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -80.63 176.55 9.7 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -173.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.635 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 0.3 OUTLIER 47.33 -154.34 0.07 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.424 1.089 . . . . 0.0 111.54 -175.128 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.81 -38.71 1.26 Allowed Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 -176.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.0 p -110.68 166.44 11.01 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 174.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 172.11 178.45 42.35 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.344 -0.931 . . . . 0.0 112.016 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -109.8 149.85 29.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.048 0.451 . . . . 0.0 111.178 -175.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 73.6 mt -98.98 124.99 44.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.523 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.513 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 85.6 mt -104.69 133.09 50.12 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.097 0.475 . . . . 0.0 110.563 -177.082 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -179.84 -152.43 10.8 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.086 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.9 p -136.14 160.37 38.88 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.401 HG13 ' HA ' ' A' ' 34' ' ' ASP . 43.7 t -88.42 106.33 16.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 173.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.405 ' C ' ' H ' ' A' ' 34' ' ' ASP . 6.4 t -77.29 121.59 23.92 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.158 -171.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.485 ' O ' ' HB3' ' A' ' 34' ' ' ASP . 6.1 t70 63.89 -0.15 0.84 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 114.214 -1.357 . . . . 0.0 111.93 177.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.485 ' HB3' ' O ' ' A' ' 33' ' ' ASP . 31.9 t70 73.6 19.58 3.27 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 122.15 0.976 . . . . 0.0 109.334 -175.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -105.11 -24.82 7.02 Favored Glycine 0 CA--C 1.521 0.414 0 CA-C-N 115.108 -0.951 . . . . 0.0 113.245 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -170.13 170.98 7.13 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -88.75 130.31 35.37 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.202 0.525 . . . . 0.0 111.053 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -107.67 106.38 16.68 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.719 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.9 t -94.5 116.66 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.141 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -117.35 -20.16 9.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.718 -176.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.513 ' HB1' ' HB2' ' A' ' 28' ' ' LEU . . . -132.65 142.21 48.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.967 0.413 . . . . 0.0 111.151 -178.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.4 mt -107.65 134.74 50.2 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.588 178.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -119.02 120.64 37.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.804 0.335 . . . . 0.0 110.274 176.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.564 ' HA ' ' OH ' ' A' ' 82' ' ' TYR . 76.5 mtt180 -82.71 134.99 35.13 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.723 -0.844 . . . . 0.0 108.723 177.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.088 0.47 . . . . 0.0 110.59 179.171 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.0 t70 . . . . . 0 C--O 1.235 0.328 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -54.9 -50.8 67.87 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.413 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 35.4 mtt180 -60.52 -36.21 77.83 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -176.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.48 -41.38 80.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.961 0.41 . . . . 0.0 110.457 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.16 -40.56 86.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.923 174.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.05 -45.09 96.17 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.267 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.11 -51.24 67.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.018 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.12 -33.27 75.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.338 -178.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.466 ' HB2' HD21 ' A' ' 28' ' ' LEU . . . -62.0 -51.32 68.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.307 176.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -59.94 -44.23 94.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.771 179.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.42 -43.43 83.8 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 177.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -83.68 -4.59 58.73 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.128 -178.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.21 32.76 59.9 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.882 -177.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.2 mt -125.94 -179.75 4.84 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -143.87 177.49 8.5 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 174.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.8 t -81.18 110.43 16.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.892 0.377 . . . . 0.0 110.364 -176.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.5 m -111.64 -1.46 9.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.708 -176.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.497 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -174.76 -179.96 45.68 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 119.755 -1.212 . . . . 0.0 113.334 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 107' ' ' TYR . 3.8 t -138.67 153.86 26.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.564 ' OH ' ' HA ' ' A' ' 44' ' ' ARG . 11.7 p90 -127.57 152.67 47.33 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.787 177.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -134.31 126.51 29.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.545 176.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.1 m -105.75 126.1 51.77 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 66.3 m170 -100.65 142.69 25.11 Favored Pre-proline 0 C--N 1.322 -0.609 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.305 -178.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -82.1 98.31 0.94 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 122.727 2.284 . . . . 0.0 110.256 171.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.425 ' CG ' ' H ' ' A' ' 88' ' ' HIS . 44.8 t0 70.29 -170.69 0.17 Allowed 'General case' 0 C--O 1.237 0.427 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -176.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.425 ' H ' ' CG ' ' A' ' 87' ' ' ASP . 32.7 m170 67.93 160.86 0.14 Allowed Pre-proline 0 N--CA 1.472 0.657 0 C-N-CA 123.447 0.699 . . . . 0.0 111.829 178.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -57.67 154.88 34.5 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 123.186 2.591 . . . . 0.0 113.329 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -83.25 37.33 0.55 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.752 -176.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.498 ' NH1' ' HA ' ' A' ' 93' ' ' SER . 7.7 ppt_? -113.79 151.98 45.17 Favored Pre-proline 0 C--N 1.322 -0.587 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -61.79 132.36 39.59 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.802 2.335 . . . . 0.0 112.692 -177.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.498 ' HA ' ' NH1' ' A' ' 91' ' ' ARG . 12.6 t -95.3 -170.77 2.24 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 176.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.1 -47.45 74.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.922 0.392 . . . . 0.0 111.175 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.7 m -67.44 -39.87 85.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.528 -177.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -61.43 -42.27 98.49 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.054 0.454 . . . . 0.0 110.062 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.65 -44.09 74.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.973 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -68.64 -33.13 73.49 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.502 -176.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -94.9 8.1 43.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.022 0.439 . . . . 0.0 111.302 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.03 61.55 6.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.358 0.599 . . . . 0.0 110.266 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.658 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 6.1 t -95.85 8.26 44.07 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.817 -175.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.464 ' HB3' ' CD1' ' A' ' 105' ' ' PHE . 76.4 m-85 -104.64 87.13 1.64 Allowed Pre-proline 0 C--N 1.317 -0.839 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.33 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.658 ' HD3' ' O ' ' A' ' 101' ' ' THR . 4.0 Cg_exo -76.08 123.86 7.56 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.64 2.227 . . . . 0.0 111.917 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 109.4 -7.82 32.44 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.809 -179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.497 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 33.8 m-85 -93.72 151.19 19.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.704 0.288 . . . . 0.0 110.497 178.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.466 HG23 ' HB2' ' A' ' 1' ' ' MET . 25.2 m -92.38 126.78 37.61 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.3 178.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 88.9 m-85 -102.99 115.35 30.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.054 -177.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 99.8 t -101.7 125.9 55.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 174.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 68.6 mt -120.11 129.73 75.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.203 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.75 ' HB ' ' HB3' ' A' ' 120' ' ' LEU . 3.3 p -130.67 132.03 64.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-O 121.301 0.572 . . . . 0.0 110.705 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.6 m -84.24 111.66 19.58 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.812 177.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.3 t -111.61 115.97 51.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 176.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.35 86.21 2.78 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -176.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.405 ' HA ' ' HE2' ' A' ' 19' ' ' TYR . 38.6 t70 54.32 62.88 2.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.673 -179.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.01 -35.64 4.01 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.786 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -86.25 111.29 37.71 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.75 0.31 . . . . 0.0 111.724 -176.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -84.32 110.94 1.53 Allowed 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 123.267 2.644 . . . . 0.0 111.511 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -77.23 -76.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -176.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -139.12 141.54 38.09 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.029 -175.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.75 ' HB3' ' HB ' ' A' ' 110' ' ' VAL . 2.4 pp -119.42 152.71 36.39 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.912 172.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.469 HG22 ' NE ' ' A' ' 134' ' ' ARG . 5.1 m -149.44 161.88 41.23 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 176.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -108.95 138.67 44.93 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.406 ' CZ3' ' HB2' ' A' ' 134' ' ' ARG . 78.4 m95 -123.18 140.13 53.34 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.845 -175.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.45 128.06 52.27 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.452 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.692 HD23 ' HG2' ' A' ' 129' ' ' ARG . 57.5 tp -80.97 135.79 35.92 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.128 -178.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.09 149.66 85.89 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 174.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -37.27 -57.81 0.65 Allowed 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 123.797 2.998 . . . . 0.0 114.432 -175.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -102.4 31.08 4.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.083 0.468 . . . . 0.0 110.895 -176.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.692 ' HG2' HD23 ' A' ' 125' ' ' LEU . 55.5 mtm180 66.35 18.32 10.86 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.406 176.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 11.7 m -65.77 -29.3 69.78 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -173.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -169.61 179.74 3.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.614 0.245 . . . . 0.0 110.778 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -116.05 153.62 31.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.639 175.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -127.7 147.02 50.38 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 172.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.469 ' NE ' HG22 ' A' ' 121' ' ' THR . 46.6 ttt180 -95.57 146.07 24.74 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.991 0.424 . . . . 0.0 111.33 -174.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -140.66 153.53 46.04 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.955 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -96.92 154.01 17.55 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 173.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.611 HG21 HD21 ' A' ' 8' ' ' LEU . 3.4 mp -83.52 122.0 37.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.096 0.474 . . . . 0.0 110.437 -174.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 3.7 m -109.68 154.17 11.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.803 178.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.455 ' HA ' ' O ' ' A' ' 3' ' ' THR . 44.9 mtm180 -78.45 158.55 76.22 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.818 179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -72.85 99.01 1.03 Allowed 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.835 1.69 . . . . 0.0 111.576 174.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--N 1.319 -0.74 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.898 -179.723 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.661 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 24.0 ttt . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 120.733 0.302 . . . . 0.0 111.301 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.541 ' HA ' ' O ' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -113.71 134.41 54.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.88 176.51 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.5 t -157.6 144.88 18.4 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.817 0.341 . . . . 0.0 110.726 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.55 ' HB ' ' OD1' ' A' ' 6' ' ' ASP . 0.7 OUTLIER -74.51 151.2 87.26 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.031 -175.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -62.32 -31.32 81.73 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.919 2.412 . . . . 0.0 112.361 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.55 ' OD1' ' HB ' ' A' ' 4' ' ' THR . 5.7 p-10 -66.77 -32.88 74.47 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.621 178.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.543 ' O ' HG13 ' A' ' 11' ' ' ILE . 46.3 mm -67.94 -44.69 84.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 174.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.8 mt -58.95 -38.17 78.44 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.807 177.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.48 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 32.3 t70 -63.7 -47.16 82.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.28 0.562 . . . . 0.0 110.496 176.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.431 ' NE2' HD12 ' A' ' 7' ' ' ILE . 47.8 mt-30 -60.37 -31.36 70.27 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.18 176.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 7' ' ' ILE . 78.5 mt -68.03 -49.07 71.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.158 177.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 9' ' ' ASP . 16.3 ptt180 -64.32 -36.72 85.05 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.634 0.254 . . . . 0.0 110.772 -178.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.6 t -69.13 -39.19 79.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.993 0.425 . . . . 0.0 109.89 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.661 ' HE1' ' HD3' ' A' ' 44' ' ' ARG . 80.9 t60 -59.09 -28.92 66.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.404 178.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.42 -47.51 90.77 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.483 -0.865 . . . . 0.0 111.966 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.8 -36.95 62.48 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.198 0.523 . . . . 0.0 110.959 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -67.09 -39.6 86.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.174 -174.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.55 -38.7 59.05 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.733 -177.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -71.31 159.22 86.19 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.358 -175.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -73.17 -4.2 14.96 Favored 'Cis proline' 0 N--CA 1.477 0.512 0 C-N-CA 124.029 -1.238 . . . . 0.0 114.195 4.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -67.66 157.31 34.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.159 0.504 . . . . 0.0 111.291 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -71.2 98.38 1.7 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.853 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.89 52.7 4.64 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.07 -0.586 . . . . 0.0 113.21 -175.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.6 p -68.49 153.69 43.27 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 120.957 0.408 . . . . 0.0 111.373 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -175.39 175.96 47.26 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.58 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -124.24 160.84 27.06 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.747 0.308 . . . . 0.0 110.457 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.4 mt -94.29 112.06 23.84 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.557 178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.47 HD22 ' HB2' ' A' ' 71' ' ' ALA . 51.0 mt -104.72 132.38 51.03 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.136 0.493 . . . . 0.0 110.424 -177.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.538 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . -173.23 -146.31 5.42 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.493 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.5 p -129.95 159.57 36.24 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.808 0.337 . . . . 0.0 110.778 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.1 t -88.04 106.22 16.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 175.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.588 ' HB ' ' HE ' ' A' ' 38' ' ' ARG . 3.3 t -99.04 152.35 19.92 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.475 -1.239 . . . . 0.0 110.035 -173.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 67.95 -0.75 1.94 Allowed 'General case' 0 N--CA 1.462 0.159 0 O-C-N 123.69 0.619 . . . . 0.0 110.433 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.411 ' H ' ' C ' ' A' ' 32' ' ' THR . 8.0 t70 51.95 61.99 2.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.657 -1.156 . . . . 0.0 109.623 -170.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.47 -31.82 0.16 Allowed Glycine 0 N--CA 1.444 -0.819 0 CA-C-N 114.341 -1.3 . . . . 0.0 111.962 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -107.03 178.2 4.63 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.824 ' HB2' ' HB ' ' A' ' 79' ' ' VAL . 20.9 p-10 -136.9 128.16 28.07 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.056 0.455 . . . . 0.0 111.15 -173.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.588 ' HE ' ' HB ' ' A' ' 32' ' ' THR . 9.8 ptp180 -115.79 145.42 42.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.288 0.566 . . . . 0.0 110.7 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.6 t -101.66 117.85 47.58 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.02 -177.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -107.58 -24.81 11.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.468 -176.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -152.61 153.77 34.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.225 0.536 . . . . 0.0 111.295 -176.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.7 mt -117.0 149.51 40.14 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.311 176.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -144.86 134.74 23.71 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 177.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.661 ' HD3' ' HE1' ' A' ' 14' ' ' HIS . 7.9 mmm180 -72.89 135.87 45.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.218 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.46 ' HB3' ' OD1' ' A' ' 63' ' ' ASP . . . . . . . . 0 C--N 1.317 -0.835 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.021 172.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.46 ' OD1' ' HB3' ' A' ' 45' ' ' ALA . 36.2 t70 . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -52.18 -45.35 65.11 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -173.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -53.55 -34.16 57.28 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -178.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.73 -47.52 75.03 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.536 -178.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.75 -35.8 75.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.231 0.539 . . . . 0.0 109.989 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -62.84 -48.59 78.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.019 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.453 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -69.25 -49.84 52.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.099 -177.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.68 -34.48 69.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.119 -177.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.47 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -63.05 -52.18 63.78 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.211 177.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -64.66 -35.23 80.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.85 -178.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 54.8 mt-10 -60.85 -38.25 84.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.43 0.633 . . . . 0.0 110.888 176.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -90.01 5.78 45.09 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.963 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.98 16.89 79.28 Favored Glycine 0 C--N 1.329 0.192 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.647 178.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 67.1 mt -114.1 -176.83 2.99 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -150.15 170.75 18.19 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 173.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.8 t -77.32 108.26 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.91 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.824 ' HB ' ' HB2' ' A' ' 37' ' ' ASN . 29.0 m -102.92 -6.45 9.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.445 -177.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.428 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -176.3 174.44 46.96 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.412 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.5 t -121.4 152.03 24.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -135.61 134.91 39.79 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.252 -177.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -150.35 150.5 31.52 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.762 174.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.4 p -103.97 144.64 31.26 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 177.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 2.3 t-160 -130.38 138.41 32.99 Favored Pre-proline 0 C--N 1.319 -0.718 0 C-N-CA 119.497 -0.881 . . . . 0.0 111.85 -170.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.457 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 61.4 Cg_endo -104.76 -171.45 0.06 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.147 0 C-N-CA 124.32 3.347 . . . . 0.0 110.571 165.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.457 ' HB3' ' O ' ' A' ' 86' ' ' PRO . 19.8 t70 70.81 -69.7 0.17 Allowed 'General case' 0 N--CA 1.474 0.749 0 CA-C-O 120.807 0.337 . . . . 0.0 110.449 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 61.0 m80 -107.2 140.27 21.28 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 167.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -84.57 -58.9 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 121.543 1.495 . . . . 0.0 115.025 -165.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.422 ' O ' ' HZ2' ' A' ' 123' ' ' TRP . . . -128.95 43.24 3.18 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.121 0.486 . . . . 0.0 111.328 -170.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.534 ' HB2' ' HD2' ' A' ' 92' ' ' PRO . 34.9 ptt85 -164.83 161.62 15.02 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.003 172.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.534 ' HD2' ' HB2' ' A' ' 91' ' ' ARG . 39.6 Cg_endo -66.7 -174.75 0.49 Allowed 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.629 2.219 . . . . 0.0 113.286 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.407 ' H ' ' HB3' ' A' ' 96' ' ' ASP . 49.3 m -151.08 -169.88 3.51 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.335 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.46 -49.28 74.28 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -171.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.2 m -79.47 -34.86 41.07 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.805 0.336 . . . . 0.0 110.53 -177.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.407 ' HB3' ' H ' ' A' ' 93' ' ' SER . 3.7 t70 -58.87 -39.57 81.77 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.638 176.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -69.28 -45.33 69.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.433 177.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -62.13 -39.37 92.34 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -173.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -79.88 -17.28 53.54 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.6 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -83.24 67.19 9.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.302 0.572 . . . . 0.0 110.418 177.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.7 m -95.89 11.94 32.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.453 -175.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -120.38 86.92 39.69 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.21 0.528 . . . . 0.0 111.44 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.533 ' HA ' HD22 ' A' ' 125' ' ' LEU . 66.4 Cg_endo -76.26 88.81 1.31 Allowed 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.552 2.168 . . . . 0.0 112.457 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -172.04 21.94 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.082 176.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.428 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 92.0 m-85 -141.47 163.67 32.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.558 0.218 . . . . 0.0 110.545 -177.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.0 m -92.75 138.42 31.51 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 173.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -111.46 114.41 27.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.826 0.346 . . . . 0.0 111.232 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.4 t -98.08 116.54 41.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.028 0.442 . . . . 0.0 109.918 175.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.0 mt -111.77 117.9 56.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.322 177.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.6 p -109.57 136.91 44.06 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-O 121.191 0.52 . . . . 0.0 110.195 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.41 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 32.7 t -81.19 107.25 13.83 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.296 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 65.6 t -118.48 115.68 48.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.588 178.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.509 ' HB2' ' HB1' ' A' ' 116' ' ' ALA . 19.4 mtp180 -91.66 49.29 1.55 Allowed 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.848 -176.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 30.7 t70 62.74 84.13 0.15 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.79 -178.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 81.99 -2.19 84.54 Favored Glycine 0 N--CA 1.452 -0.252 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.482 -179.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.509 ' HB1' ' HB2' ' A' ' 113' ' ' ARG . . . -120.84 112.43 33.66 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 122.618 -0.342 . . . . 0.0 111.401 -178.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -77.82 118.18 4.41 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.998 2.465 . . . . 0.0 111.327 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.459 ' OE2' ' HD2' ' A' ' 113' ' ' ARG . 42.4 tt0 -100.11 -69.04 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.803 0.335 . . . . 0.0 110.976 -177.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.4 ' H ' ' HB3' ' A' ' 111' ' ' SER . . . -144.17 154.89 43.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.801 -177.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.2 tt -119.15 128.69 54.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 37.3 p -131.72 141.24 49.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.631 0.253 . . . . 0.0 111.123 -177.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -113.05 133.53 54.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.851 0.358 . . . . 0.0 110.192 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.422 ' HZ2' ' O ' ' A' ' 90' ' ' ALA . 70.5 m95 -128.74 149.81 50.55 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.288 -173.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -110.79 131.06 55.37 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.411 174.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.533 HD22 ' HA ' ' A' ' 103' ' ' PRO . 50.7 tp -81.11 139.61 35.54 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.432 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . . . -61.64 142.77 94.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.455 177.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 126' ' ' ALA . 32.1 Cg_exo -59.15 -21.34 59.03 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.919 2.413 . . . . 0.0 112.756 -177.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -113.78 26.22 10.54 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 46.15 34.03 1.96 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.044 0.938 . . . . 0.0 111.966 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.36 -39.92 77.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.629 -179.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -178.71 -174.52 0.37 Allowed 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.067 -175.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.442 ' CD1' ' HG3' ' A' ' 92' ' ' PRO . 82.5 m-85 -106.04 144.46 32.72 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 176.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -124.48 146.2 49.08 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 176.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 18.1 tpt85 -79.24 134.81 36.65 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.433 -175.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -131.49 162.1 31.01 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.449 -176.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -101.92 144.13 30.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.87 0.367 . . . . 0.0 111.337 -174.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 58.8 mt -96.63 131.93 42.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.531 -178.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.541 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 1.3 m -109.59 150.09 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.93 0.395 . . . . 0.0 110.829 178.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.532 ' HG2' ' HD2' ' A' ' 140' ' ' PRO . 9.5 ttp180 -94.04 139.59 22.63 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.476 -175.122 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.532 ' HD2' ' HG2' ' A' ' 139' ' ' ARG . 29.6 Cg_exo -27.23 125.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.762 1 C-N-CA 125.743 4.295 . . . . 0.0 115.817 -177.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.445 ' CG ' ' HZ2' ' A' ' 2' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.319 -0.728 0 CA-C-N 114.223 -1.353 . . . . 0.0 110.287 177.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.497 ' H3 ' ' CD ' ' A' ' 135' ' ' GLU . 26.7 ttt . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 138' ' ' VAL . 12.3 mptt -106.02 120.59 42.17 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.882 0.372 . . . . 0.0 110.745 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.0 t -159.4 173.87 15.58 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.45 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.8 p -103.1 156.09 35.79 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 120.766 0.317 . . . . 0.0 110.711 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HA ' HD12 ' A' ' 8' ' ' LEU . 11.8 Cg_endo -57.42 -29.38 84.26 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.832 2.354 . . . . 0.0 111.841 176.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.91 -40.05 91.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.271 176.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.475 ' O ' HG13 ' A' ' 11' ' ' ILE . 50.3 mm -73.31 -40.22 56.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.345 -0.389 . . . . 0.0 109.969 177.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.488 HD13 HG23 ' A' ' 137' ' ' ILE . 95.0 mt -56.41 -43.32 79.24 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.392 178.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -60.43 -47.88 84.2 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.485 177.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -57.37 -39.96 77.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.741 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 7' ' ' ILE . 72.5 mt -59.63 -48.95 85.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.872 0.367 . . . . 0.0 110.6 178.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.8 ttp180 -65.32 -43.65 90.31 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.384 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.0 t -64.7 -48.3 85.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.315 -178.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -66.1 -28.59 68.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.557 0.218 . . . . 0.0 111.578 -177.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.4 -49.29 75.46 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.034 176.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.498 ' HB1' ' HG3' ' A' ' 117' ' ' PRO . . . -74.1 -26.98 60.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.886 0.374 . . . . 0.0 110.953 177.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -65.17 -38.52 90.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.109 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.54 -27.28 55.87 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.276 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.71 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 4.7 t80 -59.48 150.12 66.77 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.805 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.71 ' HA ' ' CG ' ' A' ' 19' ' ' TYR . 5.5 Cg_exo -78.41 -4.51 34.47 Favored 'Cis proline' 0 C--N 1.352 0.716 0 C-N-CA 124.703 -0.957 . . . . 0.0 114.002 5.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -75.41 152.79 37.95 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -72.31 111.7 7.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.336 0.589 . . . . 0.0 110.666 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.8 -81.19 0.43 Allowed Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.533 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 58.0 m 66.8 160.04 0.14 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.261 0.553 . . . . 0.0 111.487 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.463 ' HA2' ' N ' ' A' ' 45' ' ' ALA . . . 176.9 -175.29 47.59 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.204 -0.998 . . . . 0.0 112.674 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -120.17 153.39 36.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.785 0.326 . . . . 0.0 110.215 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.9 mt -94.04 121.98 36.08 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.603 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.527 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 62.6 mt -104.08 131.84 50.94 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.102 0.477 . . . . 0.0 110.012 -178.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.473 ' HA2' HD13 ' A' ' 76' ' ' LEU . . . 178.3 -148.28 8.4 Favored Glycine 0 N--CA 1.442 -0.956 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -178.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.469 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -137.09 147.18 45.91 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.259 179.123 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.5 t -97.88 123.88 50.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 174.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 59.4 p -79.92 172.5 13.69 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.374 0.607 . . . . 0.0 111.66 -174.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -59.86 -36.56 77.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.072 172.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -76.94 -3.99 41.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.127 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.27 25.91 35.23 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.271 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -85.47 133.59 34.09 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 121.104 0.478 . . . . 0.0 110.02 177.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -98.88 103.16 15.09 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 174.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 30' ' ' THR . 29.6 ptt180 -112.24 143.75 42.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.296 0.57 . . . . 0.0 110.294 -176.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.478 HG22 ' HE2' ' A' ' 1' ' ' MET . 59.0 t -114.74 120.26 63.88 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.638 -173.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -114.92 -8.88 12.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.554 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.527 ' HB1' ' HB2' ' A' ' 28' ' ' LEU . . . -149.17 150.4 32.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.863 0.363 . . . . 0.0 111.223 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.8 mt -121.1 156.62 31.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.193 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -163.38 132.33 3.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.36 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -71.96 137.24 47.18 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 174.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.836 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 123.742 0.651 . . . . 0.0 112.552 -171.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.836 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 5.1 m-20 . . . . . 0 C--O 1.235 0.319 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -68.62 -42.65 77.78 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.41 -175.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.6 mtp85 -56.75 -39.77 74.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.636 0.255 . . . . 0.0 111.676 -175.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.88 -36.08 67.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.966 0.412 . . . . 0.0 111.237 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.23 -39.29 78.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.24 -40.2 95.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.738 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.22 -48.59 64.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.833 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.0 -34.08 74.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.114 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.489 ' HB2' HD21 ' A' ' 28' ' ' LEU . . . -61.03 -51.39 69.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.883 0.373 . . . . 0.0 110.462 176.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -64.17 -33.03 74.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.489 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -57.95 -43.73 86.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.061 0.458 . . . . 0.0 111.92 174.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -84.63 -12.21 54.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.843 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.72 33.0 31.75 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.81 -0.71 . . . . 0.0 111.441 -176.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.473 HD13 ' HA2' ' A' ' 29' ' ' GLY . 81.4 mt -125.52 -176.57 3.63 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.355 -0.422 . . . . 0.0 110.038 -177.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -136.63 177.45 7.84 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 174.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 42.8 t -85.3 111.07 20.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.432 -178.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.9 m -98.89 -10.28 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.494 -176.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.416 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -177.57 178.7 48.37 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.264 -179.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.6 t -135.48 154.53 35.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.561 ' HB3' ' HB ' ' A' ' 108' ' ' VAL . 54.0 p90 -142.35 140.2 32.02 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.086 0.469 . . . . 0.0 110.624 178.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -145.8 153.94 41.46 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.9 m -102.1 155.69 18.03 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 120.868 0.366 . . . . 0.0 110.689 -170.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.43 ' HB3' ' HB2' ' A' ' 88' ' ' HIS . 19.9 m170 -110.59 89.21 8.66 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.73 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.428 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 17.0 Cg_endo -58.86 120.8 8.89 Favored 'Trans proline' 0 C--O 1.237 0.473 0 C-N-CA 121.947 1.765 . . . . 0.0 111.071 174.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.428 ' HB3' ' O ' ' A' ' 86' ' ' PRO . 27.1 t70 76.41 -38.48 0.33 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.647 0.779 . . . . 0.0 111.863 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.43 ' HB2' ' HB3' ' A' ' 85' ' ' HIS . 29.3 m80 -78.92 154.6 77.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 120.71 0.29 . . . . 0.0 110.575 177.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 88' ' ' HIS . 3.6 Cg_exo -82.18 -174.14 2.0 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.719 2.28 . . . . 0.0 112.04 176.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.1 -165.89 0.14 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.156 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 54.6 mtt85 66.64 144.43 0.09 OUTLIER Pre-proline 0 CA--C 1.532 0.279 0 C-N-CA 123.241 0.616 . . . . 0.0 110.796 -176.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.66 125.65 13.58 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.494 2.129 . . . . 0.0 112.452 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.1 m -84.52 -177.86 6.73 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.935 175.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.33 83.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.734 0.302 . . . . 0.0 111.054 -178.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.8 m -64.02 -38.48 91.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.173 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.07 -42.96 99.47 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.922 0.391 . . . . 0.0 110.363 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.8 tt -68.96 -43.41 75.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.014 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -62.43 -39.1 92.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.23 -177.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -98.3 17.44 18.74 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.717 -177.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.46 ' HB2' HD23 ' A' ' 125' ' ' LEU . . . -85.31 78.93 9.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 109.603 173.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.5 m -83.35 -26.38 30.57 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.315 -0.857 . . . . 0.0 112.177 -172.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -120.32 88.7 42.46 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -169.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -67.97 -178.92 1.86 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.822 2.348 . . . . 0.0 111.978 177.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 91.11 -40.66 2.95 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.686 -177.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.416 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 95.8 m-85 -77.69 152.81 33.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.684 0.278 . . . . 0.0 110.268 176.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.7 m -91.33 123.67 34.94 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 176.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.421 ' CD2' ' HE2' ' A' ' 132' ' ' PHE . 82.4 m-85 -93.07 117.0 29.57 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.185 -179.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.561 ' HB ' ' HB3' ' A' ' 82' ' ' TYR . 97.6 t -103.52 120.71 53.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.193 0.52 . . . . 0.0 110.516 177.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 29.9 mm -110.52 117.77 55.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.496 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.46 ' HA ' ' HA ' ' A' ' 120' ' ' LEU . 6.5 p -112.55 134.22 55.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.425 0.631 . . . . 0.0 111.017 -178.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.736 ' HB2' ' HB3' ' A' ' 118' ' ' GLU . 49.7 m -81.0 118.02 22.11 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.551 177.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.403 ' HA ' ' HA ' ' A' ' 117' ' ' PRO . 55.9 t -121.12 115.12 45.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 174.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.3 ttt85 -117.86 75.0 0.97 Allowed 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 120.573 -0.451 . . . . 0.0 109.892 -175.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.625 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 19.0 t70 48.69 86.89 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 114.669 -1.15 . . . . 0.0 112.087 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.523 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 82.0 -37.64 2.53 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.702 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -104.7 104.5 46.13 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 121.002 0.429 . . . . 0.0 112.025 -176.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.523 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 3.3 Cg_exo -78.07 127.57 8.55 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 122.928 2.419 . . . . 0.0 111.277 172.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.736 ' HB3' ' HB2' ' A' ' 111' ' ' SER . 31.8 tt0 -73.61 -77.05 0.11 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.022 0.439 . . . . 0.0 110.387 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -154.22 159.72 41.48 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.101 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.465 HD23 ' O ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -111.35 136.92 49.79 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 175.232 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 25.7 p -122.04 138.17 54.54 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.508 -177.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.04 136.97 47.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.922 0.392 . . . . 0.0 110.142 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -135.31 145.16 47.21 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.283 -174.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -109.86 127.89 54.99 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.657 174.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.46 HD23 ' HB2' ' A' ' 100' ' ' ALA . 61.6 tp -85.26 130.26 34.64 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.02 135.75 95.31 Favored Pre-proline 0 N--CA 1.449 -0.501 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 174.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -58.04 -22.56 56.09 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.907 2.405 . . . . 0.0 112.636 -176.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -83.09 -4.51 58.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.215 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? 63.87 24.1 13.6 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.532 0.52 . . . . 0.0 110.554 -176.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 20.2 p -72.27 -50.97 23.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.636 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -163.8 -178.02 5.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.323 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.421 ' HE2' ' CD2' ' A' ' 107' ' ' TYR . 72.3 m-85 -106.2 154.19 21.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.169 173.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -123.31 142.4 50.99 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -69.86 137.89 52.08 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.769 -175.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.497 ' CD ' ' H3 ' ' A' ' 1' ' ' MET . 5.8 tp10 -114.06 149.56 35.29 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.016 175.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -107.26 148.75 28.56 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 121.409 0.623 . . . . 0.0 111.467 -176.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.488 HG23 HD13 ' A' ' 8' ' ' LEU . 45.7 mm -92.4 113.33 27.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.235 174.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.521 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 0.5 OUTLIER -130.96 155.48 41.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -178.585 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 54.5 mtm180 -88.73 127.76 55.03 Favored Pre-proline 0 C--N 1.317 -0.835 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.862 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -64.56 173.86 5.02 Favored 'Trans proline' 0 C--O 1.238 0.489 0 C-N-CA 122.945 2.43 . . . . 0.0 112.696 -177.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.854 179.514 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.417 ' HE3' HG22 ' A' ' 39' ' ' VAL . 20.5 ttt . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 120.587 0.232 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.716 ' HB3' ' HG3' ' A' ' 140' ' ' PRO . 13.7 mptt -93.61 137.82 32.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.081 174.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.455 HG22 HG22 ' A' ' 137' ' ' ILE . 13.5 t -158.19 174.01 15.83 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 174.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.7 p -123.74 156.65 64.7 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.957 -177.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -51.58 -33.3 47.69 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.468 2.779 . . . . 0.0 112.483 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.497 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 3.8 m-20 -56.65 -49.55 74.72 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.479 178.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.541 ' O ' HG13 ' A' ' 11' ' ' ILE . 50.9 mm -66.67 -45.41 88.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.462 -177.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.444 HD13 HG21 ' A' ' 137' ' ' ILE . 98.2 mt -59.37 -42.33 91.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.384 -178.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -69.21 -41.35 77.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.543 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 49.2 mt-30 -57.75 -38.35 75.22 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.2 177.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 7' ' ' ILE . 78.9 mt -60.14 -41.26 86.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.767 0.318 . . . . 0.0 110.531 177.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.6 ' HG2' HD12 ' A' ' 120' ' ' LEU . 57.4 mtm180 -65.16 -49.69 68.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.651 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.9 t -66.29 -49.1 78.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.039 -176.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -67.47 -27.84 67.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.253 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.16 -49.52 52.47 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.002 176.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.41 -29.83 67.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.167 0.508 . . . . 0.0 110.445 177.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -60.0 -37.82 80.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.985 175.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.09 -43.75 77.81 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.33 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -58.64 145.67 76.57 Favored Pre-proline 0 N--CA 1.465 0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.206 -177.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -80.38 -3.45 42.03 Favored 'Cis proline' 0 CA--C 1.535 0.542 0 C-N-CA 123.859 -1.309 . . . . 0.0 113.75 4.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -80.95 176.4 9.85 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.56 139.24 32.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.223 0.535 . . . . 0.0 111.586 -174.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.8 -82.08 1.02 Allowed Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.731 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.486 ' O ' ' HA ' ' A' ' 44' ' ' ARG . 26.2 p 47.03 -166.42 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.915 0.886 . . . . 0.0 112.784 178.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 137.71 -152.53 21.71 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.357 -0.925 . . . . 0.0 112.742 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -120.37 166.71 13.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.912 0.387 . . . . 0.0 111.14 -173.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 64.4 mt -111.29 130.53 55.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.406 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.519 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 60.3 mt -114.47 144.95 42.51 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.553 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . 179.16 -162.37 29.19 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 119.691 -1.242 . . . . 0.0 113.093 179.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.5 p -110.16 158.63 18.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.341 -0.43 . . . . 0.0 110.681 -178.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.1 t -91.68 119.83 39.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 172.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.5 m -89.26 -47.66 7.9 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.586 0.708 . . . . 0.0 111.738 -166.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -101.22 2.69 40.21 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.184 -174.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.1 t70 61.98 28.48 17.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 122.797 1.284 . . . . 0.0 108.171 -170.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.25 -32.54 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 113.39 -1.732 . . . . 0.0 110.72 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -112.42 153.93 26.59 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 174.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.447 ' HB2' ' HB ' ' A' ' 79' ' ' VAL . 28.3 p30 -109.39 150.88 27.41 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.874 -171.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.553 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 77.3 ttt180 -116.61 137.78 51.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.018 172.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.417 HG22 ' HE3' ' A' ' 1' ' ' MET . 60.9 t -98.69 114.54 36.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.47 -10.63 8.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.254 -176.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.519 ' HB1' ' HB2' ' A' ' 28' ' ' LEU . . . -143.04 142.77 31.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.171 179.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.2 mt -108.89 141.55 40.79 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.576 -178.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -118.78 120.0 36.07 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 173.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.486 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 56.4 mtp180 -90.71 137.58 32.25 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 173.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 123.237 0.336 . . . . 0.0 111.14 -176.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.435 ' HA ' ' HB2' ' A' ' 66' ' ' ALA . 2.1 p-10 . . . . . 0 N--CA 1.462 0.14 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -69.19 -48.07 63.12 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 172.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -36.75 84.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.882 174.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.435 ' HB2' ' HA ' ' A' ' 63' ' ' ASP . . . -68.82 -33.65 74.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.056 178.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.91 -41.52 78.07 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 120.944 0.402 . . . . 0.0 110.05 178.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -65.83 -43.32 88.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.753 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.511 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -60.99 -53.89 51.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.855 178.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.35 -36.03 77.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.938 0.399 . . . . 0.0 111.094 -178.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.506 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -63.8 -51.31 65.33 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.798 175.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -59.34 -41.88 90.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.419 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 75.3 mm-40 -55.87 -40.1 72.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.843 176.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -87.37 -7.15 58.07 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.15 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.08 27.69 36.47 Favored Glycine 0 N--CA 1.454 -0.125 0 C-N-CA 120.577 -0.821 . . . . 0.0 111.951 -178.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.3 mt -120.06 -173.16 2.49 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -152.5 177.39 10.68 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 169.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.0 t -78.97 110.5 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.901 0.381 . . . . 0.0 110.185 -177.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.447 ' HB ' ' HB2' ' A' ' 37' ' ' ASN . 27.4 m -99.3 -24.41 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.803 -175.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.454 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -165.38 -171.37 31.51 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 119.924 -1.132 . . . . 0.0 113.213 -177.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.8 t -137.58 159.65 34.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -139.22 136.34 34.88 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.234 0.54 . . . . 0.0 110.361 176.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -128.79 138.34 52.02 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.354 -176.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.9 m -105.24 155.86 18.66 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.909 0.385 . . . . 0.0 110.685 -174.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.453 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 60.1 m80 -131.97 143.08 47.53 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 175.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.599 ' O ' ' HA ' ' A' ' 113' ' ' ARG . 6.3 Cg_exo -80.13 -15.33 11.66 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.001 2.467 . . . . 0.0 112.971 -177.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -172.7 102.84 0.14 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.192 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.417 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 0.1 OUTLIER -176.62 149.72 0.91 Allowed Pre-proline 0 N--CA 1.466 0.358 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 177.507 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 88' ' ' HIS . 6.1 Cg_exo -75.59 62.14 6.26 Favored 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 122.552 2.168 . . . . 0.0 113.111 -178.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 46.72 30.25 1.13 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.406 1.082 . . . . 0.0 113.072 176.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.453 ' HB2' ' HD2' ' A' ' 92' ' ' PRO . 14.0 ptp180 -123.3 159.02 56.56 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 91' ' ' ARG . 57.6 Cg_endo -70.67 155.06 63.69 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.643 2.229 . . . . 0.0 112.381 178.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.8 m -109.24 178.5 4.43 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 176.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.76 -43.73 72.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.009 0.433 . . . . 0.0 111.014 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 41.2 m -62.17 -38.64 89.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.666 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -62.44 -40.92 98.14 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.851 0.357 . . . . 0.0 110.336 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -68.5 -44.23 75.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.928 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -63.73 -33.03 74.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.081 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -88.88 -2.43 58.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.393 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.15 78.79 6.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.405 0.622 . . . . 0.0 110.705 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.3 m -110.01 0.62 18.56 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.462 0.649 . . . . 0.0 110.571 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -119.19 86.84 33.52 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.195 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -74.13 156.7 46.9 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.235 1.957 . . . . 0.0 111.834 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 120.98 -25.71 7.03 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.197 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.454 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 94.2 m-85 -100.6 154.56 18.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.874 0.369 . . . . 0.0 110.897 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 21.9 m -91.32 135.94 33.45 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 175.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -105.19 111.53 24.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.682 0.277 . . . . 0.0 110.753 -176.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 84.7 t -96.32 126.24 49.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.226 0.536 . . . . 0.0 110.402 176.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.4 mt -114.02 125.9 71.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.705 -178.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.612 HG22 ' HG ' ' A' ' 120' ' ' LEU . 5.6 p -116.11 128.82 73.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.648 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.6 m -88.49 107.65 18.99 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.926 176.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 47.3 t -120.77 113.8 41.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 172.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.599 ' HA ' ' O ' ' A' ' 86' ' ' PRO . 41.9 mtt180 -97.23 95.98 8.1 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.641 -173.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 22.3 t70 60.85 21.84 11.96 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.965 176.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 121.11 -11.64 9.9 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.453 -0.879 . . . . 0.0 112.738 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -102.69 109.79 61.74 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.88 0.34 . . . . 0.0 111.057 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -73.92 122.13 7.47 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.53 2.153 . . . . 0.0 112.168 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -103.51 -75.9 0.6 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.557 -175.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -126.91 142.59 51.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.21 0.528 . . . . 0.0 111.63 -173.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.612 ' HG ' HG22 ' A' ' 110' ' ' VAL . 6.6 mp -119.7 138.35 53.35 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.402 176.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.65 HG22 HH11 ' A' ' 134' ' ' ARG . 3.9 m -150.12 156.65 42.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.856 0.36 . . . . 0.0 110.268 177.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -112.15 141.8 45.4 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.802 177.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -126.61 138.66 53.47 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.342 -176.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.33 130.08 52.19 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.331 176.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 47.5 tp -80.06 135.33 36.32 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.41 142.52 59.81 Favored Pre-proline 0 C--N 1.328 -0.356 0 O-C-N 123.502 0.501 . . . . 0.0 109.903 177.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -27.98 -54.48 0.13 Allowed 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 124.963 3.775 . . . . 0.0 115.034 -172.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -125.82 69.78 1.19 Allowed 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.262 -0.575 . . . . 0.0 111.954 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 55.1 mtm180 58.18 32.08 21.57 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.858 166.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 15.5 m -84.81 -51.17 6.96 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.576 -176.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -166.21 -178.61 4.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.43 -176.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -108.05 144.58 35.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.384 178.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -124.84 146.04 49.48 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.552 175.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.65 HH11 HG22 ' A' ' 121' ' ' THR . 10.7 tpp180 -69.59 137.04 51.99 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.114 -179.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -131.67 149.12 52.6 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.926 0.393 . . . . 0.0 110.021 178.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -93.42 157.5 16.19 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.506 -176.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.455 HG22 HG22 ' A' ' 3' ' ' THR . 2.4 mp -93.12 113.8 28.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.728 177.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.481 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 11.6 m -110.29 151.42 12.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.237 0.541 . . . . 0.0 110.714 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.42 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 86.1 mtt180 -106.12 137.81 19.49 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.625 -174.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.716 ' HG3' ' HB3' ' A' ' 2' ' ' LYS . 12.0 Cg_exo -69.77 135.46 30.48 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.882 2.388 . . . . 0.0 112.156 179.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.344 178.242 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ttt . . . . . 0 N--CA 1.477 0.903 0 CA-C-O 120.71 0.291 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.48 ' HB3' ' HG3' ' A' ' 140' ' ' PRO . 12.4 mptt -111.04 135.73 51.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.132 173.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.1 t -157.79 164.34 37.13 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 175.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.0 p -99.07 152.42 37.78 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-O 120.862 0.363 . . . . 0.0 111.24 -176.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -57.15 -33.57 96.12 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.385 2.723 . . . . 0.0 113.192 -177.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.412 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 4.1 p-10 -65.38 -33.15 75.28 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.571 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.579 ' O ' HG13 ' A' ' 11' ' ' ILE . 47.1 mm -70.11 -45.67 75.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 177.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.2 mt -58.85 -41.21 86.46 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.754 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -61.3 -47.17 87.19 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.419 175.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 27.7 mt-30 -61.66 -30.63 70.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.58 177.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 7' ' ' ILE . 75.0 mt -65.41 -49.91 75.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 C-N-CA 121.213 -0.195 . . . . 0.0 111.083 178.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -64.78 -38.36 90.74 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 120.83 0.347 . . . . 0.0 110.952 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.6 t -66.16 -42.98 92.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.332 176.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -56.09 -34.59 66.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.279 177.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.06 -50.1 59.17 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.66 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.56 -35.9 63.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.734 0.302 . . . . 0.0 111.495 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -68.96 -35.26 76.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.323 -175.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.97 -29.02 60.79 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.908 -178.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -66.47 158.47 78.3 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.11 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -72.74 -3.46 13.28 Favored 'Cis proline' 0 C--N 1.351 0.683 0 C-N-CA 124.541 -1.025 . . . . 0.0 113.987 5.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -75.16 169.9 17.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.892 0.377 . . . . 0.0 111.015 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -91.09 128.68 37.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.097 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -126.21 54.14 0.77 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.417 -0.897 . . . . 0.0 113.332 -177.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.6 p -84.05 -178.14 6.88 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 175.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 165.11 -162.93 36.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.343 -0.932 . . . . 0.0 112.866 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.711 ' HB2' ' HE1' ' A' ' 43' ' ' HIS . 10.6 m-85 -116.75 161.2 19.62 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 -178.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.422 HD21 HG13 ' A' ' 39' ' ' VAL . 80.6 mt -97.31 133.77 41.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.845 -177.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.511 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . 77.7 mt -112.39 136.09 52.29 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.06 -152.37 9.82 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.043 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.91 158.76 43.62 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 120.634 0.254 . . . . 0.0 111.114 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -94.79 131.27 42.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.909 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 47.1 p -86.23 164.07 17.39 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.566 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -65.01 -13.9 59.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.658 0.266 . . . . 0.0 111.652 -177.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -78.0 -12.41 59.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.921 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.1 18.3 56.05 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.331 -174.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -117.21 161.17 19.9 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.6 p30 -105.59 147.63 28.2 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.823 0.821 . . . . 0.0 112.364 -172.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -116.2 110.08 18.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.948 -1.023 . . . . 0.0 109.58 174.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.422 HG13 HD21 ' A' ' 27' ' ' LEU . 57.9 t -83.85 118.42 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.08 -20.27 7.49 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -174.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.511 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . . . -138.92 143.61 38.73 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.203 0.525 . . . . 0.0 111.91 -176.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.4 mt -116.44 155.7 28.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.791 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.711 ' HE1' ' HB2' ' A' ' 26' ' ' PHE . 32.7 p-80 -149.09 159.88 43.84 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.755 0.312 . . . . 0.0 110.322 173.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.2 mtm-85 -87.66 137.85 31.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.742 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.2 0 O-C-N 123.408 0.442 . . . . 0.0 110.497 177.878 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.7 t70 . . . . . 0 N--CA 1.464 0.231 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -55.39 -42.73 74.4 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.287 -177.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 62.2 mtt85 -66.98 -38.54 86.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.874 0.369 . . . . 0.0 111.541 -178.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.57 -41.7 75.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.297 176.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.64 -39.91 95.36 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.509 176.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -58.4 -44.86 89.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.753 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -67.06 -50.97 60.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.096 179.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.57 -35.44 80.49 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.339 -177.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.483 ' HB3' HD22 ' A' ' 28' ' ' LEU . . . -62.86 -51.93 65.09 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 177.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -40.14 82.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.571 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 42.1 mt-10 -56.46 -43.15 79.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.62 175.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -84.64 -2.02 56.88 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.2 -176.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.67 25.88 61.97 Favored Glycine 0 N--CA 1.454 -0.124 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.74 -178.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.4 mt -124.64 -178.67 4.21 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -144.23 170.18 16.47 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 173.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.6 t -80.3 110.59 16.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.2 m -106.22 -5.6 10.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.241 -0.436 . . . . 0.0 112.075 -174.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.492 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -178.18 -173.52 43.65 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.023 -1.084 . . . . 0.0 113.2 -179.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.433 ' HA ' ' HA ' ' A' ' 26' ' ' PHE . 3.4 t -137.55 158.64 34.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 -179.393 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -141.16 135.9 31.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.257 0.551 . . . . 0.0 110.937 176.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -148.18 153.0 38.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.81 177.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.6 p -103.96 156.33 17.94 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.995 0.426 . . . . 0.0 110.962 -174.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -120.43 88.56 42.67 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.473 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -76.99 -6.77 16.97 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.088 1.858 . . . . 0.0 111.43 173.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -89.86 -38.31 13.82 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.605 -1.179 . . . . 0.0 110.877 -177.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.441 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 68.8 m80 -139.81 143.57 35.29 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.863 -179.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 88' ' ' HIS . 18.8 Cg_exo -67.73 97.62 0.47 Allowed 'Trans proline' 0 C--O 1.238 0.477 0 C-N-CA 122.565 2.177 . . . . 0.0 112.13 178.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 65.57 -175.55 0.18 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.719 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.52 155.12 0.06 OUTLIER Pre-proline 0 N--CA 1.479 0.986 0 C-N-CA 125.195 1.398 . . . . 0.0 113.744 178.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -84.66 151.85 11.59 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.544 2.163 . . . . 0.0 113.057 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.5 m -104.05 -175.44 2.8 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.701 176.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.661 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -64.43 -49.25 72.24 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -174.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.408 ' HA ' ' OE1' ' A' ' 98' ' ' GLU . 26.4 m -73.84 -32.1 63.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.155 0.502 . . . . 0.0 110.338 -178.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.08 -38.02 81.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.729 175.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.3 tt -70.09 -39.75 75.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.456 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.661 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 49.2 mt-10 -60.81 -39.02 87.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.433 -176.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -80.04 -11.51 59.77 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.131 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.15 99.49 5.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.248 0.547 . . . . 0.0 110.044 176.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.459 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 3.5 m -131.08 29.09 4.72 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.602 0.715 . . . . 0.0 110.076 -177.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.573 ' HB2' ' HH ' ' A' ' 107' ' ' TYR . 65.4 m-85 -114.57 86.15 12.21 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.306 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.459 ' HD3' ' O ' ' A' ' 101' ' ' THR . 16.9 Cg_exo -67.84 125.31 12.99 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.665 2.244 . . . . 0.0 112.014 -179.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.46 -10.15 49.72 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.682 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.492 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 13.2 m-85 -96.46 138.57 33.85 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 86.9 m -92.62 130.86 38.13 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.573 ' HH ' ' HB2' ' A' ' 102' ' ' PHE . 98.8 m-85 -100.43 113.62 26.53 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.01 0.433 . . . . 0.0 110.432 -177.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 90.5 t -95.33 119.61 43.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.45 0.643 . . . . 0.0 109.324 175.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 78.9 mt -110.2 118.43 57.0 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.124 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.771 -178.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 5.0 p -103.66 129.31 55.89 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.323 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.518 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 13.2 t -81.54 105.24 12.55 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 60.3 t -122.68 114.2 41.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 176.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -94.67 73.85 3.68 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 121.589 0.709 . . . . 0.0 109.7 -175.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.7 t70 52.7 62.78 2.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 113.825 -1.534 . . . . 0.0 110.944 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.424 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 105.64 -27.0 19.54 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.458 177.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -93.57 109.93 43.94 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 111.525 0.194 . . . . 0.0 111.525 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 4.2 Cg_exo -74.56 111.35 3.29 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.997 2.465 . . . . 0.0 111.576 177.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.518 ' HB3' ' HB3' ' A' ' 111' ' ' SER . 45.0 tt0 -91.03 -71.0 0.65 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 -176.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -152.7 158.82 42.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.114 0.483 . . . . 0.0 111.814 -176.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 39.6 mt -102.91 138.89 39.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.392 176.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.7 p -139.66 131.0 26.78 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 176.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.54 135.36 50.66 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.861 0.363 . . . . 0.0 110.269 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -130.21 136.98 49.82 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.023 -173.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.79 135.56 45.94 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.696 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 60.4 tp -89.18 138.77 31.13 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.151 -177.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.75 138.74 97.0 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 174.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.98 -24.45 76.47 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.907 2.404 . . . . 0.0 112.634 -176.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -84.66 -8.28 58.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.75 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.502 ' NH2' ' HA ' ' A' ' 98' ' ' GLU . 2.0 tmt_? 62.33 81.69 0.19 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.467 -176.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 24.8 p -137.25 -57.51 0.71 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.541 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -140.52 177.89 7.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.334 0.588 . . . . 0.0 110.677 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.487 ' HE1' ' CD2' ' A' ' 107' ' ' TYR . 89.0 m-85 -112.27 145.5 39.86 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.351 175.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -124.1 136.52 54.29 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.069 0.462 . . . . 0.0 110.55 175.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 134' ' ' ARG . 9.3 tpt180 -57.59 138.47 55.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.12 -177.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -124.7 161.8 25.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.693 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -102.04 148.1 25.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.088 0.471 . . . . 0.0 111.56 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 49.4 mm -97.82 115.07 36.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.275 176.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 1.4 t -120.68 155.01 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.201 0.524 . . . . 0.0 110.503 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 56.8 mtm180 -96.88 137.87 21.34 Favored Pre-proline 0 C--N 1.316 -0.884 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.786 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.48 ' HG3' ' HB3' ' A' ' 2' ' ' LYS . 16.5 Cg_exo -66.76 109.28 1.62 Allowed 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.817 2.344 . . . . 0.0 113.007 -177.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 . . . . . 0 C--N 1.33 -0.275 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 172.142 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ttt . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.739 0.305 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.507 ' HD2' HG21 ' A' ' 138' ' ' VAL . 0.1 OUTLIER -107.35 137.21 45.82 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 178.892 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.9 t -153.86 173.04 16.44 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.507 -176.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.438 ' HB ' ' HD2' ' A' ' 5' ' ' PRO . 40.0 p -120.04 163.8 26.05 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.918 -177.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.438 ' HD2' ' HB ' ' A' ' 4' ' ' THR . 32.6 Cg_exo -56.44 -34.53 94.86 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.123 2.549 . . . . 0.0 111.81 177.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -54.03 -46.1 71.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.971 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.46 ' O ' HG13 ' A' ' 11' ' ' ILE . 48.6 mm -75.65 -42.54 41.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.648 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.3 mt -56.39 -43.21 79.07 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.548 -178.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.429 ' O ' HG22 ' A' ' 13' ' ' VAL . 9.5 t70 -63.29 -45.37 91.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.734 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -60.74 -41.94 96.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.533 177.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 7' ' ' ILE . 83.6 mt -59.42 -50.08 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.134 0 CA-C-N 116.735 -0.211 . . . . 0.0 111.219 -179.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -66.11 -33.08 74.97 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.258 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 9' ' ' ASP . 73.5 t -69.05 -47.27 76.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.913 0.387 . . . . 0.0 110.356 176.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -65.74 -27.66 68.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.045 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.01 -45.04 96.93 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.991 173.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.9 -33.48 66.04 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.281 0.562 . . . . 0.0 110.619 177.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -61.7 -36.36 80.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.085 175.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.24 26.95 1.3 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.744 -1.117 . . . . 0.0 111.82 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.523 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -103.69 147.74 34.71 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 176.511 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.523 ' HA ' ' CG ' ' A' ' 19' ' ' TYR . 11.5 Cg_exo -71.09 -20.8 11.97 Favored 'Cis proline' 0 C--N 1.351 0.671 0 C-N-CA 123.984 -1.257 . . . . 0.0 113.404 2.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -167.79 175.02 7.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.553 0.216 . . . . 0.0 111.036 176.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 70.05 129.67 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 O-C-N 124.283 0.99 . . . . 0.0 111.09 -175.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.5 0.94 2.26 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -175.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.3 m -65.9 150.85 47.94 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.91 -164.53 14.5 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.941 -177.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -107.89 152.56 24.25 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.972 0.415 . . . . 0.0 110.989 -174.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.0 mt -94.35 126.75 39.8 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.678 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.5 mt -104.58 131.49 51.93 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.144 0.497 . . . . 0.0 110.227 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.25 -159.41 22.36 Favored Glycine 0 N--CA 1.441 -1.008 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.84 150.55 48.36 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.987 0.422 . . . . 0.0 111.584 179.033 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.602 HG13 ' H ' ' A' ' 33' ' ' ASP . 59.7 t -89.73 134.2 29.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 174.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 33' ' ' ASP . 30.2 p -87.35 3.08 48.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.972 0.415 . . . . 0.0 111.954 -173.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.602 ' H ' HG13 ' A' ' 31' ' ' VAL . 38.1 m-20 73.68 -11.54 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 123.941 0.896 . . . . 0.0 111.942 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' A' ' 32' ' ' THR . 12.2 m-20 -69.74 -22.07 63.4 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.435 0.635 . . . . 0.0 109.48 174.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.56 -14.47 8.14 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.97 -176.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -97.86 167.93 10.62 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 120.876 0.37 . . . . 0.0 110.029 -178.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.486 HD21 ' HB ' ' A' ' 79' ' ' VAL . 20.3 p-10 -132.53 128.9 38.29 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.177 -177.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -105.76 143.39 33.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.271 0.557 . . . . 0.0 110.099 -178.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.6 t -101.98 123.32 55.11 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.985 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.52 -30.22 7.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.538 -176.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -148.04 169.59 19.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.991 0.424 . . . . 0.0 110.835 -178.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.6 mt -121.16 147.43 45.59 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.356 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -118.12 122.09 42.19 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.001 0.429 . . . . 0.0 109.997 174.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.1 mtt180 -96.12 137.63 34.91 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.276 -178.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.386 0 CA-C-O 121.28 0.562 . . . . 0.0 110.436 177.171 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.3 t70 . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 120.615 0.245 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -66.61 -44.88 80.92 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.416 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -59.74 -36.87 77.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.275 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.24 -36.92 74.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.638 177.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.92 -40.7 87.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.094 0.473 . . . . 0.0 109.918 176.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -58.6 -46.24 87.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.06 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.554 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -59.56 -53.67 55.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.941 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.81 -33.43 75.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.96 0.41 . . . . 0.0 110.82 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.02 -49.47 72.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.866 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 3.5 pt20 -68.49 -32.07 71.79 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.51 -179.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.554 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 48.6 mt-10 -61.64 -43.82 98.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.181 0.515 . . . . 0.0 111.18 175.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -83.13 -26.3 31.11 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.06 -177.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.57 33.23 7.23 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.367 -176.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.2 mt -121.47 174.65 6.63 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -132.79 173.83 10.96 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.2 t -84.6 102.65 10.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -178.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.486 ' HB ' HD21 ' A' ' 37' ' ' ASN . 29.9 m -87.51 -9.82 10.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.624 -176.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.427 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . 168.19 -169.06 41.25 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.178 -1.01 . . . . 0.0 112.924 179.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.9 t -136.32 151.38 28.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -178.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -123.66 143.38 50.29 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.581 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -133.22 149.68 51.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.918 -175.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.2 m -105.64 128.81 53.85 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.246 178.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -110.54 150.49 41.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.87 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.83 -162.82 0.05 OUTLIER 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 123.509 2.806 . . . . 0.0 112.843 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -73.34 49.31 0.27 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.726 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 11.6 m80 -147.58 165.73 17.94 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.016 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -45.49 147.19 2.85 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 123.48 2.787 . . . . 0.0 114.174 -176.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.14 14.27 11.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.698 -176.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -77.58 147.82 75.67 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 175.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -59.87 127.52 23.7 Favored 'Trans proline' 0 N--CA 1.463 -0.266 0 C-N-CA 122.839 2.359 . . . . 0.0 112.508 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.8 t -82.24 -173.16 4.38 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 175.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.75 -42.56 89.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.756 0.313 . . . . 0.0 110.549 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.6 m -69.63 -41.9 75.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.189 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.04 -41.54 88.09 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 176.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.67 -45.74 88.76 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.992 177.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.22 -30.5 69.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.584 -0.734 . . . . 0.0 112.02 -176.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -82.7 -16.2 49.02 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.917 0.339 . . . . 0.0 111.917 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.411 ' HB1' HD22 ' A' ' 125' ' ' LEU . . . -77.13 78.4 3.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.239 0.542 . . . . 0.0 110.691 178.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.3 m -105.69 -17.33 14.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.965 -179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -109.41 88.79 6.46 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.183 0.516 . . . . 0.0 111.768 -174.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -71.96 162.23 42.47 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.597 2.198 . . . . 0.0 112.091 -177.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 106.77 -13.19 42.07 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.066 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.427 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 97.0 m-85 -109.55 148.19 31.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.858 0.361 . . . . 0.0 110.512 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.1 m -92.25 125.15 36.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.012 177.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -97.27 108.85 21.66 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.427 ' HA ' ' HA ' ' A' ' 122' ' ' ALA . 60.0 t -96.83 114.98 35.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 177.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.5 mt -113.71 128.69 70.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.999 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.3 p -109.61 135.87 47.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.054 0.454 . . . . 0.0 111.153 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.8 m -90.49 109.84 20.97 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.531 175.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 31.2 t -105.78 117.05 50.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.869 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.441 ' C ' ' H ' ' A' ' 115' ' ' GLY . 20.2 mtp180 -98.02 91.02 5.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.191 -176.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.519 ' HA ' ' HE2' ' A' ' 19' ' ' TYR . 38.4 t70 70.7 -12.54 0.54 Allowed 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.865 177.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 113' ' ' ARG . . . 151.06 -20.56 0.97 Allowed Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 110.374 -1.09 . . . . 0.0 110.374 -177.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -96.91 108.99 46.8 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.342 -0.429 . . . . 0.0 110.787 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 11.5 Cg_exo -71.26 117.01 4.93 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.655 2.237 . . . . 0.0 111.344 177.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -75.37 -64.15 1.13 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.008 0.432 . . . . 0.0 109.963 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -149.94 156.56 41.95 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.344 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.411 HD23 ' C ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -119.5 139.94 51.29 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 175.391 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 22.5 p -124.72 145.72 49.54 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.87 -177.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' A' ' 108' ' ' VAL . . . -109.06 148.49 30.73 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.503 ' HB3' ' HD2' ' A' ' 132' ' ' PHE . 85.6 m95 -136.35 134.9 38.36 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.319 -174.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -105.22 126.69 52.37 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.182 174.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.411 HD22 ' HB1' ' A' ' 100' ' ' ALA . 57.1 tp -81.53 133.11 35.34 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.022 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.57 135.97 94.3 Favored Pre-proline 0 N--CA 1.45 -0.448 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 174.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -51.48 -33.59 47.98 Favored 'Trans proline' 0 N--CA 1.474 0.325 0 C-N-CA 123.148 2.565 . . . . 0.0 113.152 -174.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -84.68 6.61 23.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.538 -176.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? 64.05 19.11 11.61 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.496 0.498 . . . . 0.0 110.437 -176.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.4 p -72.59 -49.97 28.66 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.28 -173.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -154.08 179.85 8.54 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.091 0.472 . . . . 0.0 111.055 -175.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.503 ' HD2' ' HB3' ' A' ' 123' ' ' TRP . 11.6 m-85 -108.37 147.29 31.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.611 175.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -124.55 140.05 53.3 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 173.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -82.1 144.26 30.91 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 121.475 0.655 . . . . 0.0 112.054 -172.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -124.68 153.98 41.49 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.692 -1.14 . . . . 0.0 108.433 175.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -122.75 179.43 4.63 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 -177.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 49.6 mm -93.5 114.06 29.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.085 0.469 . . . . 0.0 110.061 -178.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.507 HG21 ' HD2' ' A' ' 2' ' ' LYS . 0.2 OUTLIER -125.47 142.5 42.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.33 -179.043 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 57.5 mtp85 -79.56 148.23 69.29 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.2 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.438 ' HG3' ' HB3' ' A' ' 2' ' ' LYS . 4.9 Cg_exo -74.17 94.17 0.9 Allowed 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 122.296 1.997 . . . . 0.0 110.523 169.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 12.0 t70 . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.277 -177.293 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.505 ' HE3' HG23 ' A' ' 39' ' ' VAL . 24.4 ttt . . . . . 0 N--CA 1.479 1.0 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 138' ' ' VAL . 4.5 mptp? -106.26 117.88 35.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.723 0.297 . . . . 0.0 110.918 177.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.8 t -161.03 173.83 14.65 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 174.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.0 p -102.37 148.08 34.92 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.621 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.03 -29.09 63.29 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.499 2.799 . . . . 0.0 112.85 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -55.27 -43.95 75.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.864 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.509 ' O ' HG13 ' A' ' 11' ' ' ILE . 49.5 mm -67.91 -42.0 85.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.422 179.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.537 HD13 HG23 ' A' ' 137' ' ' ILE . 92.7 mt -57.46 -41.71 81.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.772 178.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.664 ' HA ' HH11 ' A' ' 12' ' ' ARG . 15.5 t70 -64.11 -44.43 92.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.099 179.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -61.78 -31.17 71.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.88 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 7' ' ' ILE . 75.9 mt -62.46 -46.89 95.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.133 0.492 . . . . 0.0 109.948 175.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.664 HH11 ' HA ' ' A' ' 9' ' ' ASP . 21.3 mtp-105 -64.26 -39.25 93.56 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.03 178.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 9' ' ' ASP . 95.2 t -64.68 -47.2 89.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.57 176.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.566 ' HA ' ' HB3' ' A' ' 17' ' ' ASP . 28.7 m-70 -65.54 -27.31 68.35 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.528 ' HA3' HG23 ' A' ' 112' ' ' VAL . . . -61.15 -44.44 98.14 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.375 -0.917 . . . . 0.0 111.455 173.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.19 -29.81 63.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.226 0.536 . . . . 0.0 110.507 175.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.566 ' HB3' ' HA ' ' A' ' 14' ' ' HIS . 17.4 t70 -58.64 -37.4 75.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.284 176.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.29 97.45 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.029 177.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.618 ' OH ' ' HA ' ' A' ' 86' ' ' PRO . 25.3 m-85 -55.73 140.5 67.39 Favored Pre-proline 0 N--CA 1.464 0.235 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.9 -178.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -88.93 -2.21 62.41 Favored 'Cis proline' 0 CA--C 1.533 0.433 0 C-N-CA 123.775 -1.344 . . . . 0.0 113.293 0.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -78.28 173.2 12.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.175 0.512 . . . . 0.0 111.815 -174.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -89.83 129.44 36.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.23 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -163.29 105.24 0.25 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.2 -1.0 . . . . 0.0 113.194 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.2 p -102.22 -177.36 3.38 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 173.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -173.5 175.18 46.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 119.348 -1.406 . . . . 0.0 113.758 176.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.554 ' HB2' ' HE1' ' A' ' 43' ' ' HIS . 29.2 m-85 -120.39 157.4 29.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.3 -0.45 . . . . 0.0 110.463 -178.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 75.0 mt -95.01 131.17 41.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.338 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.7 mt -108.62 137.4 46.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.115 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.44 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . -173.25 -157.74 15.76 Favored Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -178.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.4 HG23 HD22 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -135.65 145.71 47.09 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 117.456 0.628 . . . . 0.0 112.005 178.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.552 HG12 ' H ' ' A' ' 33' ' ' ASP . 58.2 t -92.28 134.22 31.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 172.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.495 ' C ' ' H ' ' A' ' 34' ' ' ASP . 39.1 p -70.61 2.9 3.53 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -176.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.552 ' H ' HG12 ' A' ' 31' ' ' VAL . 32.5 t70 75.37 -28.55 0.19 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.925 0.89 . . . . 0.0 110.722 -177.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.495 ' H ' ' C ' ' A' ' 32' ' ' THR . 14.6 t70 -77.91 -35.65 50.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.899 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.28 -11.31 0.76 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.28 -0.962 . . . . 0.0 112.539 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -86.7 148.1 25.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.656 0.265 . . . . 0.0 110.302 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -122.32 134.01 54.66 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 173.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.44 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 10.7 ptm180 -115.97 145.48 42.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.399 0.618 . . . . 0.0 110.093 173.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.505 HG23 ' HE3' ' A' ' 1' ' ' MET . 52.7 t -98.13 120.67 47.75 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.104 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.113 178.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.98 -30.73 7.39 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.297 -0.411 . . . . 0.0 112.048 -172.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -149.1 145.41 27.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.421 0.629 . . . . 0.0 112.124 -176.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.4 mt -103.64 145.14 30.5 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 173.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.554 ' HE1' ' HB2' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -133.46 135.74 44.7 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.026 -0.67 . . . . 0.0 110.831 179.897 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -93.98 135.14 35.63 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.9 175.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.83 0.348 . . . . 0.0 110.63 170.767 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.0 t70 . . . . . 0 N--CA 1.471 0.601 0 CA-C-O 120.591 0.234 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -58.67 -39.63 81.19 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 177.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.5 mtp-105 -55.83 -49.15 74.07 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.454 176.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.58 -33.96 76.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.593 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.458 ' HB1' ' CE1' ' A' ' 43' ' ' HIS . . . -64.46 -43.94 92.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.193 177.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -68.24 -43.21 78.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.184 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.524 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -61.34 -52.61 63.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.198 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.64 -32.25 73.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.349 . . . . 0.0 110.621 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.56 -52.14 64.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.53 177.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -67.48 -31.49 71.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.585 0.231 . . . . 0.0 111.317 -178.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 38.5 mt-10 -61.97 -37.03 83.23 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.345 0.593 . . . . 0.0 111.064 175.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -92.19 -10.98 36.74 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.843 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.38 32.82 41.45 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.61 -175.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.4 HD22 HG23 ' A' ' 30' ' ' THR . 81.1 mt -118.29 179.68 4.04 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 123.27 0.628 . . . . 0.0 110.011 -179.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -139.74 178.11 7.47 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 174.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.4 t -89.65 101.16 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.812 0.339 . . . . 0.0 110.168 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.0 m -87.44 -15.98 9.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.982 -175.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.547 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -178.05 -169.91 39.55 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 119.868 -1.158 . . . . 0.0 113.416 -179.133 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 t -135.85 156.16 37.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 41.4 p90 -126.53 140.02 52.77 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.413 175.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -129.08 137.46 51.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.002 -178.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.4 p -116.81 126.69 53.45 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 173.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 56.8 m170 -88.97 141.2 29.38 Favored Pre-proline 0 C--N 1.325 -0.489 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.118 178.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.618 ' HA ' ' OH ' ' A' ' 19' ' ' TYR . 60.0 Cg_endo -99.03 -3.18 0.83 Allowed 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 123.405 2.737 . . . . 0.0 113.985 -177.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -130.01 -71.9 0.59 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.166 0.508 . . . . 0.0 111.013 -173.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -90.23 162.67 34.09 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.479 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.469 ' HA ' ' OG ' ' A' ' 111' ' ' SER . 38.8 Cg_exo -63.21 -163.76 0.05 OUTLIER 'Trans proline' 0 CA--C 1.534 0.512 0 C-N-CA 123.179 2.586 . . . . 0.0 114.124 -177.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.465 ' O ' ' HB3' ' A' ' 91' ' ' ARG . . . -67.8 -174.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.495 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.576 ' HG3' ' HD2' ' A' ' 92' ' ' PRO . 7.6 ttp180 66.89 141.26 0.07 OUTLIER Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.691 -172.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.576 ' HD2' ' HG3' ' A' ' 91' ' ' ARG . 28.4 Cg_endo -63.97 135.77 49.39 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.587 2.191 . . . . 0.0 113.293 -178.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.4 m -80.01 -177.11 5.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.062 173.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.638 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -62.71 -50.44 71.11 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.295 0.479 . . . . 0.0 112.295 -173.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.4 m -80.47 -32.25 37.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.046 0.451 . . . . 0.0 110.444 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -55.62 -41.51 73.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.873 173.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.615 ' HG ' ' HE1' ' A' ' 132' ' ' PHE . 8.4 tt -69.7 -44.03 71.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.528 176.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.638 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 53.3 mt-10 -59.1 -37.0 76.12 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.18 -175.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -79.35 4.96 13.73 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -176.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.495 ' HB3' HD23 ' A' ' 125' ' ' LEU . . . -77.76 76.18 4.29 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.414 0.626 . . . . 0.0 109.605 173.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 15.3 t -100.68 -5.23 26.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.91 -175.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -120.11 85.76 36.1 Favored Pre-proline 0 C--N 1.316 -0.858 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.024 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.538 ' HA ' ' OH ' ' A' ' 107' ' ' TYR . 6.0 Cg_exo -78.42 172.04 15.92 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.372 2.714 . . . . 0.0 112.577 -178.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 100.34 10.39 44.93 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.901 -0.666 . . . . 0.0 113.019 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.547 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 84.3 m-85 -122.26 162.95 20.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.711 0.291 . . . . 0.0 111.044 -178.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 37.6 m -92.15 116.97 29.4 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 170.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.538 ' OH ' ' HA ' ' A' ' 103' ' ' PRO . 30.9 m-85 -99.3 108.51 21.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.696 0.284 . . . . 0.0 110.565 -174.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 82' ' ' TYR . 58.2 t -97.1 115.31 36.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.485 HD11 ' HD3' ' A' ' 92' ' ' PRO . 65.5 mt -110.08 118.25 56.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.685 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.3 p -108.07 138.55 34.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.532 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.528 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 22.4 t -93.14 109.71 21.2 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.088 176.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.528 HG23 ' HA3' ' A' ' 15' ' ' GLY . 79.1 t -126.9 116.31 44.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -114.49 103.51 11.11 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.023 0.44 . . . . 0.0 110.685 -171.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.403 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 56.1 t0 49.53 57.87 6.03 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.857 -178.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 84.47 -6.45 76.92 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.611 -0.722 . . . . 0.0 113.461 175.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -106.48 109.06 62.87 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 117.12 0.46 . . . . 0.0 111.58 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.43 ' HB3' ' HB3' ' A' ' 12' ' ' ARG . 17.3 Cg_exo -68.53 120.62 7.55 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.866 2.377 . . . . 0.0 111.437 175.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.528 ' HB3' ' HB3' ' A' ' 111' ' ' SER . 44.5 tt0 -94.34 -69.5 0.75 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.245 -174.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -150.54 155.37 39.32 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.939 0.4 . . . . 0.0 111.933 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 28.4 mt -105.29 141.41 36.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.05 175.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 25.7 p -140.82 130.51 24.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.142 173.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -110.19 135.04 51.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.886 0.374 . . . . 0.0 110.413 178.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.427 ' CZ3' ' HB2' ' A' ' 134' ' ' ARG . 62.5 m95 -133.49 145.34 50.1 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.424 0.631 . . . . 0.0 112.062 -171.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -112.56 127.96 56.22 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.033 169.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 126' ' ' ALA . 54.7 tp -81.65 140.25 34.5 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.757 0.313 . . . . 0.0 110.624 -177.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.518 ' O ' ' HG ' ' A' ' 125' ' ' LEU . . . -65.5 141.48 97.98 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 171.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.24 -24.81 43.66 Favored 'Trans proline' 0 N--CA 1.473 0.298 0 C-N-CA 122.746 2.298 . . . . 0.0 112.819 -176.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -106.33 12.72 29.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.086 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.425 ' HA ' HD11 ' A' ' 125' ' ' LEU . 38.3 ptt180 44.41 44.52 6.97 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.443 1.097 . . . . 0.0 113.15 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 62.1 m -81.48 -25.44 36.03 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.377 172.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -171.55 177.11 3.55 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.173 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.615 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 51.6 m-85 -110.97 153.39 25.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.248 172.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -123.34 132.77 54.1 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 175.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.427 ' HB2' ' CZ3' ' A' ' 123' ' ' TRP . 59.9 ttt-85 -79.66 142.35 35.63 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.837 -174.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -133.93 150.46 51.31 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 175.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -103.7 162.59 12.95 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -176.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.537 HG23 HD13 ' A' ' 8' ' ' LEU . 3.1 mp -85.77 119.03 33.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 121.001 0.429 . . . . 0.0 110.313 -177.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.53 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -109.16 145.42 15.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.401 176.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 27.8 mtm180 -74.58 144.54 80.79 Favored Pre-proline 0 C--N 1.318 -0.766 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.365 -176.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.417 ' HA ' ' HG2' ' A' ' 2' ' ' LYS . 33.6 Cg_exo -61.31 137.97 73.9 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.546 2.164 . . . . 0.0 111.361 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--N 1.322 -0.604 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.857 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.605 ' HA ' ' O ' ' A' ' 36' ' ' ASP . 20.4 ttt . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 120.812 0.339 . . . . 0.0 110.742 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.452 ' HD2' ' HB ' ' A' ' 138' ' ' VAL . 0.3 OUTLIER -115.69 144.56 43.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.394 177.731 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.552 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 11.2 t -157.02 149.91 23.66 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.508 HG23 ' HG3' ' A' ' 140' ' ' PRO . 40.9 p -81.44 148.69 63.32 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-O 120.718 0.294 . . . . 0.0 111.2 -175.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.14 -27.43 84.87 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.543 2.162 . . . . 0.0 110.564 175.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.477 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 12.5 t0 -56.26 -49.77 73.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.969 174.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.554 ' O ' HG13 ' A' ' 11' ' ' ILE . 29.8 mm -68.06 -45.23 83.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.721 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 89.8 mt -57.43 -42.47 82.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.791 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -69.28 -38.88 78.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.156 0.503 . . . . 0.0 110.306 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 47.3 mt-30 -61.68 -38.6 88.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.127 175.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.554 HG13 ' O ' ' A' ' 7' ' ' ILE . 74.8 mt -63.82 -49.41 82.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 120.67 0.271 . . . . 0.0 111.176 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 12' ' ' ARG . 1.6 ptm180 -63.75 -37.63 88.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.97 -178.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.4 t -69.51 -40.41 79.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.909 0.385 . . . . 0.0 110.208 175.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -58.24 -35.55 71.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.49 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.24 -49.16 80.8 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.076 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.03 -26.69 62.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.98 0.419 . . . . 0.0 111.119 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -74.93 -38.88 61.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.219 -178.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.93 -34.3 26.59 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.746 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.537 ' HA ' ' N ' ' A' ' 21' ' ' GLU . 6.7 m-85 -69.47 162.35 67.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.073 -176.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.435 ' HA ' ' HB3' ' A' ' 19' ' ' TYR . 15.2 Cg_exo -68.56 -4.73 6.83 Favored 'Cis proline' 0 C--N 1.353 0.8 0 N-CA-C 114.601 0.962 . . . . 0.0 114.601 7.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.537 ' N ' ' HA ' ' A' ' 19' ' ' TYR . 28.8 mt-10 -73.96 135.75 43.22 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 176.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -75.06 89.28 2.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.01 0.433 . . . . 0.0 110.059 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.61 110.57 3.16 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.988 177.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.4 p -99.43 -179.84 4.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.689 0.281 . . . . 0.0 110.577 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 170.63 -157.98 29.42 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.171 -1.014 . . . . 0.0 112.837 177.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.47 ' HB2' ' HD1' ' A' ' 43' ' ' HIS . 95.3 m-85 -134.84 165.18 25.89 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -176.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.3 mt -114.85 134.21 55.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.393 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.545 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . 74.1 mt -116.16 144.52 44.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.887 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 175.02 -153.12 14.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 119.781 -1.2 . . . . 0.0 112.948 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.31 146.42 44.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.198 0.523 . . . . 0.0 111.397 -177.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.2 t -96.32 110.29 24.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.339 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.09 137.75 57.27 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.956 177.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.54 -22.63 65.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.029 0.442 . . . . 0.0 111.12 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -74.16 -18.56 60.76 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.175 178.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.76 25.25 27.99 Favored Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -172.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.605 ' O ' ' HA ' ' A' ' 1' ' ' MET . 12.7 t70 -79.82 -48.36 13.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.209 -0.495 . . . . 0.0 111.322 -176.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.777 HD22 ' HB ' ' A' ' 79' ' ' VAL . 26.3 t-20 78.08 112.89 0.07 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.881 0.872 . . . . 0.0 111.273 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -115.94 109.65 17.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.819 -178.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.0 t -86.92 123.79 40.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.69 -7.2 6.8 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -174.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.545 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . . . -144.38 143.3 30.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.974 0.416 . . . . 0.0 111.232 -178.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.6 mt -101.6 154.82 18.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.715 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.47 ' HD1' ' HB2' ' A' ' 26' ' ' PHE . 12.6 t-80 -134.47 119.46 18.55 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.058 0.456 . . . . 0.0 110.468 174.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -83.93 138.33 33.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.551 174.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 CA-C-O 121.142 0.496 . . . . 0.0 110.84 178.591 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.2 t0 . . . . . 0 C--O 1.237 0.404 0 CA-C-O 121.543 0.687 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -71.12 -40.44 71.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.514 173.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -57.15 -48.6 78.29 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -172.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.44 -27.5 64.3 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.629 -178.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.75 -44.28 70.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.285 175.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.575 ' O ' ' HG2' ' A' ' 72' ' ' GLN . 14.3 t70 -64.71 -47.51 78.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.54 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -58.52 -53.43 58.39 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.469 -178.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.37 -32.66 74.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 110.843 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.471 ' HB3' HD21 ' A' ' 28' ' ' LEU . . . -63.95 -49.02 74.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.361 175.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 74.8 mm-40 -61.02 -39.58 90.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 110.661 178.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 50.9 mt-10 -57.49 -43.89 84.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.277 177.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -89.14 -4.29 58.34 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.329 -175.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.43 31.7 58.7 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.349 -0.929 . . . . 0.0 111.842 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.8 mt -125.37 -175.11 3.23 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.441 ' HA ' ' HB1' ' A' ' 71' ' ' ALA . 6.5 p-10 -140.41 175.29 9.72 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 171.23 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.9 t -78.89 100.0 3.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.824 -178.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.777 ' HB ' HD22 ' A' ' 37' ' ' ASN . 31.3 m -95.07 -3.96 10.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.676 -174.103 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -171.05 175.48 44.7 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 119.902 -1.142 . . . . 0.0 113.293 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.5 t -137.63 156.25 32.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -133.93 141.98 47.54 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.767 177.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -118.28 139.37 51.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.205 178.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.5 m -106.15 125.93 51.59 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 174.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.481 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 37.7 m170 -125.31 142.09 40.59 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-O 120.825 0.345 . . . . 0.0 110.659 -179.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 9.3 Cg_endo -91.74 129.6 1.14 Allowed 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.445 2.763 . . . . 0.0 113.004 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.44 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 23.2 t70 53.73 73.97 0.35 Allowed 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.851 173.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -154.78 163.26 24.98 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.909 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -70.75 6.9 1.44 Allowed 'Trans proline' 0 N--CA 1.475 0.414 0 C-N-CA 123.282 2.655 . . . . 0.0 113.087 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 67.26 78.35 0.25 Allowed 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 121.808 0.813 . . . . 0.0 110.389 -175.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -163.31 162.39 17.6 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 114.843 -1.071 . . . . 0.0 108.632 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.92 149.06 77.49 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.567 2.178 . . . . 0.0 112.598 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.8 m -94.45 162.91 13.63 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 173.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.643 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -55.65 -47.97 75.77 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -174.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 98.5 m -80.9 -31.42 35.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.656 0.265 . . . . 0.0 111.143 -178.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -60.34 -35.09 74.85 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 174.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.557 ' HG ' ' HE1' ' A' ' 132' ' ' PHE . 8.8 tt -69.4 -45.15 69.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.221 173.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.643 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 47.1 mt-10 -58.01 -40.12 79.98 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.642 -178.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -72.67 -13.82 61.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.87 0.367 . . . . 0.0 111.679 -176.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.23 86.96 4.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.444 0.64 . . . . 0.0 109.764 174.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.6 m -113.92 7.54 16.96 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.395 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -124.63 86.54 55.52 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.354 -177.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.63 160.55 47.57 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.874 2.383 . . . . 0.0 112.183 178.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 112.9 -12.86 24.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.625 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -107.29 144.49 34.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.444 -0.378 . . . . 0.0 110.264 178.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.6 m -91.41 129.34 37.4 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 174.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.477 ' CD2' ' HE2' ' A' ' 132' ' ' PHE . 98.1 m-85 -104.38 117.36 34.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.937 0.399 . . . . 0.0 111.113 -175.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.2 t -106.04 126.11 61.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.91 176.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.4 mt -116.2 126.09 73.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 120.998 0.428 . . . . 0.0 110.422 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.448 ' HB ' HD22 ' A' ' 120' ' ' LEU . 6.9 p -111.76 139.09 37.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.581 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.8 t -100.68 109.65 21.72 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.592 177.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 86' ' ' PRO . 44.3 t -119.29 116.76 51.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 177.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.44 ' HG2' ' HA ' ' A' ' 87' ' ' ASP . 43.2 mtt180 -104.23 80.9 1.76 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.793 -176.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.8 t70 50.71 79.66 0.09 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 114.814 -1.084 . . . . 0.0 111.965 -176.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.523 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 80.61 -15.58 18.69 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.87 -0.681 . . . . 0.0 113.021 177.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -101.04 103.93 28.77 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.712 0.256 . . . . 0.0 111.646 -178.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.523 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 3.3 Cg_exo -77.04 111.59 3.25 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 123.174 2.583 . . . . 0.0 111.05 176.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -83.16 -67.94 0.75 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.365 -174.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -149.3 158.32 44.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.138 0.494 . . . . 0.0 111.669 -176.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.448 HD22 ' HB ' ' A' ' 110' ' ' VAL . 56.4 mt -112.72 122.31 47.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.745 176.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 40.7 p -119.99 131.48 55.17 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.639 0.257 . . . . 0.0 110.827 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.8 133.32 53.27 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.017 0.437 . . . . 0.0 109.829 178.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -126.78 138.75 53.41 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.015 -173.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -105.14 127.76 53.05 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.485 175.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 61.8 tp -83.77 137.72 33.6 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.85 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.58 135.44 63.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.93 175.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -52.87 -36.05 72.85 Favored 'Trans proline' 0 N--CA 1.473 0.312 0 C-N-CA 123.299 2.666 . . . . 0.0 113.361 -174.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -94.65 8.02 43.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.442 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? 63.2 97.12 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.384 0.611 . . . . 0.0 110.602 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 23.0 m -150.09 -48.63 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.424 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -153.62 172.28 17.47 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.053 -177.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.557 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 65.7 m-85 -107.77 147.93 30.17 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.752 177.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -124.87 145.15 49.95 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.127 0.489 . . . . 0.0 110.012 176.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -91.86 139.39 30.71 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.423 -178.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -133.04 163.05 30.1 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 175.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -87.64 147.81 25.1 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 3.4 mp -84.21 125.11 40.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.452 ' HB ' ' HD2' ' A' ' 2' ' ' LYS . 1.0 OUTLIER -109.15 154.83 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.107 0.48 . . . . 0.0 110.421 -177.299 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -80.59 152.8 73.05 Favored Pre-proline 0 C--N 1.317 -0.841 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.67 -178.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.552 ' HD3' ' O ' ' A' ' 3' ' ' THR . 16.7 Cg_endo -56.94 144.73 88.04 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.947 2.432 . . . . 0.0 112.182 -176.308 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 C--O 1.234 0.255 0 O-C-N 123.918 0.761 . . . . 0.0 111.071 -178.002 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.57 ' HA ' ' OD1' ' A' ' 36' ' ' ASP . 1.2 tmt? . . . . . 0 N--CA 1.477 0.922 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.493 ' HA ' ' O ' ' A' ' 138' ' ' VAL . 10.8 mptt -127.15 119.27 26.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.036 0.446 . . . . 0.0 111.834 -178.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.442 HG23 HG21 ' A' ' 137' ' ' ILE . 5.2 t -159.09 173.8 15.88 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.144 174.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 26.1 p -97.68 151.97 37.89 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-O 120.634 0.254 . . . . 0.0 110.692 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.64 -29.13 69.13 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.024 2.483 . . . . 0.0 111.65 176.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.34 -45.5 88.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.69 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.488 ' O ' HG13 ' A' ' 11' ' ' ILE . 46.3 mm -64.47 -43.99 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.285 177.118 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.506 HD11 HG23 ' A' ' 137' ' ' ILE . 97.4 mt -56.89 -41.94 78.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.893 179.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.544 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 36.4 t70 -63.73 -45.23 90.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.452 177.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.453 ' NE2' HD11 ' A' ' 7' ' ' ILE . 51.3 mt-30 -56.84 -36.47 70.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.091 176.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 7' ' ' ILE . 75.6 mt -65.25 -50.0 75.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.489 0.185 . . . . 0.0 111.323 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.544 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -65.65 -36.97 85.22 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.797 -0.183 . . . . 0.0 111.307 -178.438 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.4 t -69.28 -44.28 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.971 0.415 . . . . 0.0 110.397 176.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.844 ' HE1' ' HB2' ' A' ' 44' ' ' ARG . 14.8 t-80 -62.73 -31.87 72.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.302 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.26 -38.03 91.38 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.285 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.91 -34.42 66.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.957 0.408 . . . . 0.0 110.096 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -63.68 -38.64 91.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.083 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.85 95.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.343 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -67.18 159.15 78.7 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.047 -178.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.86 -3.28 16.14 Favored 'Cis proline' 0 C--N 1.347 0.458 0 C-N-CA 124.104 -1.207 . . . . 0.0 113.733 4.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -75.26 -174.26 2.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.121 0.486 . . . . 0.0 110.731 177.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -87.4 144.2 26.87 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.671 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.46 ' HA2' ' HD2' ' A' ' 44' ' ' ARG . . . -102.79 -99.07 2.47 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.303 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.8 t 63.8 -176.81 0.16 Allowed 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 121.199 0.524 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 145.1 -176.03 24.36 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.061 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -109.68 150.66 27.94 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.851 0.358 . . . . 0.0 110.54 -176.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.0 mt -97.96 119.18 36.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.506 177.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.526 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 85.9 mt -103.77 132.68 49.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.945 0.402 . . . . 0.0 110.379 -177.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.507 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . 176.94 -147.68 8.51 Favored Glycine 0 N--CA 1.441 -0.991 0 C-N-CA 120.913 -0.66 . . . . 0.0 111.723 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.1 p -136.39 159.2 42.49 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.693 0.282 . . . . 0.0 111.142 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.3 t -89.31 124.65 42.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.1 m -135.15 172.66 12.69 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.867 -170.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.9 t70 74.27 -86.81 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.579 0.752 . . . . 0.0 111.966 171.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -163.77 54.43 0.16 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 122.246 1.022 . . . . 0.0 108.892 178.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.73 33.11 7.23 Favored Glycine 0 C--N 1.311 -0.847 0 CA-C-N 114.055 -1.43 . . . . 0.0 111.42 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.57 ' OD1' ' HA ' ' A' ' 1' ' ' MET . 7.2 t0 -111.9 163.85 13.76 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 176.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -114.95 121.5 43.36 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 121.408 0.623 . . . . 0.0 110.952 -172.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.507 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 57.2 ttt180 -101.87 106.82 17.83 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.132 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 62.0 t -90.56 119.11 37.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.558 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -113.59 -21.84 10.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.838 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.526 ' HB1' ' HB2' ' A' ' 28' ' ' LEU . . . -139.5 154.88 47.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.907 0.384 . . . . 0.0 111.513 -176.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 74.9 mt -122.81 147.43 46.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.387 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -146.59 122.42 10.61 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.844 ' HB2' ' HE1' ' A' ' 14' ' ' HIS . 9.5 ttp180 -84.92 129.71 34.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.177 0.513 . . . . 0.0 110.508 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.89 177.896 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 . . . . . 0 N--CA 1.466 0.334 0 CA-C-O 120.593 0.235 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -62.92 -45.63 91.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.438 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.2 mtp-105 -64.93 -43.37 92.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.775 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.53 -35.71 81.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.888 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.16 -40.2 78.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.079 176.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.459 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 25.2 t70 -66.78 -44.03 82.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.741 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -60.63 -51.25 70.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.795 179.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.29 -32.8 73.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.899 0.381 . . . . 0.0 110.546 177.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.498 ' HB1' HD23 ' A' ' 28' ' ' LEU . . . -63.52 -48.83 75.93 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.248 175.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 68' ' ' ASP . 65.1 mt-30 -57.99 -41.39 82.92 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.888 0.375 . . . . 0.0 110.47 177.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 53.2 mt-10 -57.31 -39.65 76.24 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.116 177.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -85.72 -18.5 32.9 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.834 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.07 28.58 25.26 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.409 -176.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 72.2 mt -124.6 178.12 5.6 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 122.737 0.415 . . . . 0.0 110.003 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -139.62 -179.33 5.85 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 174.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.9 t -85.15 109.25 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.944 0.402 . . . . 0.0 110.304 -179.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.3 m -102.85 -11.01 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.634 -177.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -172.54 -176.53 41.3 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.041 -1.075 . . . . 0.0 113.035 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' A' ' 107' ' ' TYR . 4.8 t -137.96 157.62 32.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -137.27 140.78 41.83 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.995 176.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -130.17 147.42 51.9 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -176.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.4 p -104.69 128.33 52.72 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.59 0.233 . . . . 0.0 110.464 -176.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 23.8 m170 -108.84 143.75 28.2 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.168 179.082 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 3.5 Cg_exo -81.62 107.66 1.82 Allowed 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 123.052 2.501 . . . . 0.0 111.257 174.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.4 t0 64.65 -158.53 0.3 Allowed 'General case' 0 C--O 1.235 0.318 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 73.5 m80 68.65 164.14 0.13 Allowed Pre-proline 0 C--N 1.323 -0.569 0 C-N-CA 123.397 0.679 . . . . 0.0 112.232 175.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -68.54 5.78 1.16 Allowed 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 123.768 2.978 . . . . 0.0 114.414 -174.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.56 ' HB2' ' HB2' ' A' ' 111' ' ' SER . . . 72.75 12.72 5.27 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 175.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 91' ' ' ARG . 43.3 mtt180 -80.39 154.5 74.24 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 175.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -57.2 143.77 92.46 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 123.085 2.523 . . . . 0.0 113.464 -177.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.3 m -98.86 173.64 6.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.341 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.598 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -66.05 -50.36 64.41 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -172.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.0 m -79.45 -32.92 42.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.318 0.58 . . . . 0.0 109.504 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -56.94 -40.96 77.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.182 177.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.403 ' HA ' ' HE2' ' A' ' 132' ' ' PHE . 6.7 tt -70.36 -43.53 69.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.473 175.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.598 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 69.3 mt-10 -61.47 -26.27 67.79 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -176.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -77.9 -9.17 58.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.678 0.275 . . . . 0.0 111.686 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -91.99 113.79 26.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.844 0.354 . . . . 0.0 110.442 179.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.447 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 1.7 m -128.04 13.4 6.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.023 0.439 . . . . 0.0 111.514 -176.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -115.39 87.19 16.12 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 120.668 0.271 . . . . 0.0 111.524 -178.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.447 ' HD3' ' O ' ' A' ' 101' ' ' THR . 16.4 Cg_exo -68.13 115.31 3.76 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.897 2.398 . . . . 0.0 112.069 179.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 128.87 -24.38 4.84 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.478 -178.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -79.09 148.86 32.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.589 -0.305 . . . . 0.0 110.209 176.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 62.8 m -92.6 122.99 35.56 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 175.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.478 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 58.7 m-85 -103.34 110.66 22.74 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.715 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 84.7 t -95.97 119.87 44.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.213 0.53 . . . . 0.0 110.017 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.1 mt -109.94 118.18 56.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.668 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.634 HG21 ' HG ' ' A' ' 120' ' ' LEU . 7.5 p -105.97 133.22 50.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.491 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.56 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 33.0 t -88.3 109.89 20.32 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.848 178.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.0 t -114.82 115.14 48.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 176.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -87.19 79.07 8.7 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.408 -175.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.4 t70 60.15 25.7 15.05 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.039 176.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 131.66 -23.77 4.19 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.626 179.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -98.11 109.96 54.02 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 122.837 -0.214 . . . . 0.0 111.356 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -65.72 118.48 5.52 Favored 'Trans proline' 0 N--CA 1.463 -0.265 0 C-N-CA 122.452 2.101 . . . . 0.0 111.06 176.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -100.29 -70.39 0.74 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.116 -175.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -134.94 150.49 50.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.961 0.41 . . . . 0.0 111.123 -177.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.634 ' HG ' HG21 ' A' ' 110' ' ' VAL . 5.9 mp -117.32 136.73 52.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.026 179.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 35.1 p -132.36 145.55 51.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.555 0.217 . . . . 0.0 110.49 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -119.24 134.64 55.1 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.0 0.429 . . . . 0.0 110.168 177.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 70.5 m95 -129.3 151.47 49.91 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.982 -174.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -115.85 133.55 55.91 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.354 174.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 54.1 tp -80.13 133.72 36.1 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.98 140.59 61.23 Favored Pre-proline 0 C--N 1.33 -0.255 0 O-C-N 123.562 0.539 . . . . 0.0 110.978 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -51.6 -28.25 28.38 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.436 2.757 . . . . 0.0 113.197 -176.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -122.3 51.65 1.36 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.846 0.355 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 44.14 38.47 2.35 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.315 1.046 . . . . 0.0 113.403 171.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 6.1 m -78.88 -60.27 2.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.973 0.416 . . . . 0.0 110.831 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -167.46 -165.32 0.66 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.492 -175.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.403 ' HE2' ' HA ' ' A' ' 97' ' ' LEU . 34.0 m-85 -104.44 144.84 31.12 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.126 0.489 . . . . 0.0 109.976 175.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -123.73 146.71 48.08 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.319 176.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 134' ' ' ARG . 9.0 tpt180 -67.87 135.05 51.91 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.756 -172.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -117.54 175.09 5.8 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.939 -1.028 . . . . 0.0 108.879 174.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -146.2 146.25 30.74 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.662 -178.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.506 HG23 HD11 ' A' ' 8' ' ' LEU . 3.7 mp -91.55 114.94 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.249 -176.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.493 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 0.6 OUTLIER -116.83 155.33 18.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 177.133 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -72.51 137.77 80.74 Favored Pre-proline 0 C--N 1.318 -0.783 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 177.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -67.99 116.32 4.25 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.609 2.206 . . . . 0.0 111.284 177.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.325 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 ttm . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -100.95 122.5 43.6 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 173.278 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.474 HG22 HD23 ' A' ' 8' ' ' LEU . 15.1 t -156.98 174.64 15.22 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.978 -171.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 46.5 p -114.19 148.65 40.53 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.498 -176.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -55.35 -34.58 89.27 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 123.0 2.467 . . . . 0.0 112.276 178.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.51 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 34.1 t70 -59.32 -47.4 85.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.86 178.291 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.552 ' O ' HG13 ' A' ' 11' ' ' ILE . 46.3 mm -68.35 -42.72 84.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.374 178.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.474 HD23 HG22 ' A' ' 3' ' ' THR . 86.5 mt -54.75 -45.6 74.21 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.574 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -67.29 -39.61 86.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.124 0.487 . . . . 0.0 110.61 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.51 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 47.8 mt-30 -63.33 -33.55 75.76 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.145 178.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 7' ' ' ILE . 74.7 mt -61.88 -40.93 88.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 175.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 67.6 mtt180 -58.56 -49.43 77.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.243 0.544 . . . . 0.0 110.174 176.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.33 -46.9 91.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.356 -178.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -65.19 -27.74 68.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.813 -177.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.95 -47.36 91.67 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.69 175.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.79 -30.56 62.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.068 0.461 . . . . 0.0 110.728 176.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -59.24 -36.27 75.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.402 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.96 -15.4 57.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.379 -178.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.446 ' OH ' ' HB3' ' A' ' 86' ' ' PRO . 2.0 m-85 -67.07 164.49 35.14 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.105 -178.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -77.44 -2.99 28.99 Favored 'Cis proline' 0 C--N 1.351 0.677 0 C-N-CA 124.589 -1.005 . . . . 0.0 113.775 2.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -81.24 169.21 17.61 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.801 -178.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -74.68 122.85 23.85 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.101 0.477 . . . . 0.0 110.305 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.83 89.36 0.8 Allowed Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.603 -177.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.1 p -95.82 151.98 18.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.883 0.373 . . . . 0.0 110.005 174.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -171.92 -177.54 41.59 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.184 -1.007 . . . . 0.0 112.734 -178.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -116.68 149.1 40.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.626 0.251 . . . . 0.0 110.76 -175.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.5 mt -105.27 125.33 50.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.155 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.53 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 61.1 mt -110.02 144.64 38.28 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -178.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.484 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . -173.91 -159.8 21.03 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.087 -1.054 . . . . 0.0 112.684 179.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.1 p -121.24 159.93 24.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.865 0.364 . . . . 0.0 111.0 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.9 t -96.01 109.83 23.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.984 0.421 . . . . 0.0 110.145 176.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.436 ' C ' ' H ' ' A' ' 34' ' ' ASP . 17.8 p -97.6 149.96 21.66 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.853 177.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.5 t70 70.35 -3.45 1.85 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.335 0.588 . . . . 0.0 110.325 178.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.436 ' H ' ' C ' ' A' ' 32' ' ' THR . 24.0 t70 68.1 20.15 9.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.92 -1.037 . . . . 0.0 109.833 -176.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.0 10.27 0.12 Allowed Glycine 0 CA--C 1.523 0.576 0 C-N-CA 120.654 -0.784 . . . . 0.0 113.791 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -123.9 159.82 28.84 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 117.466 0.633 . . . . 0.0 110.97 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.43 ' HB2' ' HB ' ' A' ' 79' ' ' VAL . 7.7 p30 -105.49 123.12 47.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.401 177.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.499 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 57.3 ttt180 -116.88 109.28 16.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.26 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.8 t -76.7 129.78 36.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.716 -0.22 . . . . 0.0 110.813 -178.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -130.77 -27.67 2.08 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -177.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.53 ' HB1' ' HB2' ' A' ' 28' ' ' LEU . . . -137.67 148.03 45.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.933 0.397 . . . . 0.0 111.406 -176.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.8 mt -113.67 145.41 41.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.302 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -137.88 121.13 16.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.735 0.303 . . . . 0.0 110.747 176.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -84.88 138.79 32.32 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 174.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 111.585 -176.934 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.2 t70 . . . . . 0 C--O 1.235 0.337 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -53.25 -47.19 69.28 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 121.246 -0.182 . . . . 0.0 110.783 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -61.1 -40.7 94.71 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 123.075 0.234 . . . . 0.0 110.834 -175.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.83 -47.51 74.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.21 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.35 -37.62 88.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.238 0.542 . . . . 0.0 110.368 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.529 ' O ' ' HG2' ' A' ' 72' ' ' GLN . 17.7 t70 -65.65 -40.79 92.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.041 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.03 84.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.097 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.25 -32.93 74.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.056 0.455 . . . . 0.0 110.194 176.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.468 ' HB1' HD23 ' A' ' 28' ' ' LEU . . . -61.91 -48.89 78.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.84 173.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.529 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 29.3 mm-40 -57.35 -41.57 80.33 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.404 178.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -54.7 -42.39 71.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.191 177.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -88.48 6.94 35.36 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.619 -177.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.1 23.53 77.83 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.211 179.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 43.3 mt -117.77 172.09 7.61 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -178.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -139.09 168.58 19.52 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 172.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.3 t -78.2 108.75 12.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.883 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.43 ' HB ' ' HB2' ' A' ' 37' ' ' ASN . 27.1 m -91.1 -12.29 9.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.288 -176.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 173.94 -176.31 46.43 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.068 -1.063 . . . . 0.0 113.326 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.1 t -134.34 158.11 41.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 -179.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -132.96 151.36 52.07 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.244 0.545 . . . . 0.0 111.39 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -124.41 153.67 41.56 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.171 -178.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.1 m -103.51 130.71 50.95 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 173.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.623 ' HB3' ' O ' ' A' ' 88' ' ' HIS . 2.1 m170 -117.39 85.86 20.94 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -173.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.446 ' HB3' ' OH ' ' A' ' 19' ' ' TYR . 94.2 Cg_endo -93.43 -5.81 2.76 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 122.737 2.291 . . . . 0.0 111.579 169.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -90.66 -42.03 10.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.687 -1.142 . . . . 0.0 110.581 -176.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.623 ' O ' ' HB3' ' A' ' 85' ' ' HIS . 20.3 m80 -147.26 165.31 19.36 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.74 -166.36 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.998 2.466 . . . . 0.0 114.005 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.73 11.76 2.43 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -168.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 39.0 mtm180 -101.63 147.72 34.23 Favored Pre-proline 0 C--N 1.32 -0.711 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.154 174.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -62.2 131.7 35.62 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 123.032 2.488 . . . . 0.0 112.687 -177.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.9 m -96.02 -175.05 3.28 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.433 177.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.47 -40.09 85.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.63 0.252 . . . . 0.0 110.907 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.7 p -64.98 -40.45 94.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.492 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -63.29 -39.14 93.76 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.092 0.473 . . . . 0.0 109.962 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -45.87 83.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.536 176.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -70.88 -26.49 63.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.028 -0.987 . . . . 0.0 112.386 -176.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -95.65 20.74 9.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.216 0.532 . . . . 0.0 110.789 176.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -106.45 108.79 20.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.675 177.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.617 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 5.8 t -135.54 3.08 3.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.561 0.696 . . . . 0.0 110.723 -178.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.605 ' HB3' ' CD1' ' A' ' 105' ' ' PHE . 93.7 m-85 -107.57 88.64 4.36 Favored Pre-proline 0 C--N 1.315 -0.918 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.579 -178.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.617 ' HD3' ' O ' ' A' ' 101' ' ' THR . 5.8 Cg_exo -76.98 64.37 7.72 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.011 2.474 . . . . 0.0 112.123 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 171.46 27.62 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.89 178.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.605 ' CD1' ' HB3' ' A' ' 102' ' ' PHE . 35.9 m-85 -132.38 154.06 50.16 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -177.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.6 m -92.69 116.97 29.49 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.858 0.361 . . . . 0.0 110.358 177.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -93.13 108.27 19.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.792 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 89.1 t -96.17 125.73 48.95 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 121.303 0.573 . . . . 0.0 110.506 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 76.7 mt -121.08 117.91 54.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.625 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.16 128.58 72.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 121.59 0.709 . . . . 0.0 110.915 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.4 t -82.22 106.44 14.12 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.597 175.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 57.4 t -114.89 117.04 54.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -104.16 90.77 3.68 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.397 0.618 . . . . 0.0 110.88 -177.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 19.5 t70 56.53 45.65 21.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.312 -1.313 . . . . 0.0 111.215 176.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 101.74 -13.65 57.8 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.422 177.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -92.83 115.59 65.13 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 120.434 0.159 . . . . 0.0 111.254 -179.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_exo -71.41 104.21 1.53 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.879 2.386 . . . . 0.0 110.952 175.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -93.66 -68.92 0.77 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.435 -173.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.27 122.88 25.87 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -177.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.0 tt -108.17 123.08 48.2 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.3 m -140.13 155.9 46.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.938 0.399 . . . . 0.0 110.089 -179.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -124.96 146.91 49.15 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 76.7 m95 -132.79 139.4 47.51 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.794 -175.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.59 128.72 52.67 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.687 176.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 63.4 tp -83.97 134.65 34.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.896 0.379 . . . . 0.0 110.356 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.46 148.09 98.14 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.423 176.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.67 -26.38 81.95 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.912 2.408 . . . . 0.0 112.718 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -86.24 -11.3 52.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.33 178.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 65.58 21.39 11.72 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.585 -173.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 7.7 p -68.11 -37.39 81.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.433 -178.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -162.67 175.44 11.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.145 0.498 . . . . 0.0 110.668 -178.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -106.55 153.96 21.57 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.385 174.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -124.1 138.53 54.42 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 176.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 134' ' ' ARG . 4.3 ttp180 -68.66 126.42 29.65 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.334 0.587 . . . . 0.0 110.462 178.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.08 166.07 14.69 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.869 -178.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -118.38 139.91 50.65 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.944 -177.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 49.5 mm -96.63 113.46 31.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.964 0.411 . . . . 0.0 110.26 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 3.4 m -133.74 154.16 37.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.67 -179.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -83.09 144.33 47.13 Favored Pre-proline 0 N--CA 1.448 -0.555 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -69.38 121.77 8.55 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 121.671 1.581 . . . . 0.0 110.128 169.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.2 t70 . . . . . 0 N--CA 1.467 0.399 0 O-C-N 123.534 0.521 . . . . 0.0 110.738 -175.32 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.51 ' H1 ' ' CD ' ' A' ' 135' ' ' GLU . 27.2 ttt . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 138' ' ' VAL . 1.1 mptm? -113.99 119.04 35.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.056 0.455 . . . . 0.0 110.546 -179.36 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.5 t -159.29 174.1 15.3 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.293 -177.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.6 p -101.79 159.17 30.21 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.885 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.493 ' HA ' HD11 ' A' ' 8' ' ' LEU . 9.6 Cg_endo -53.87 -29.36 52.86 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.269 2.646 . . . . 0.0 111.77 176.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.483 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 1.8 m-20 -55.16 -49.63 71.36 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.047 176.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.443 ' O ' HG12 ' A' ' 11' ' ' ILE . 45.9 mm -66.95 -41.57 87.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.337 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.493 HD11 ' HA ' ' A' ' 5' ' ' PRO . 89.7 mt -55.77 -46.4 77.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.924 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.434 ' O ' HG23 ' A' ' 13' ' ' VAL . 33.9 t70 -69.25 -41.31 77.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.996 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 47.9 mt-30 -58.52 -34.76 71.33 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.253 178.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.639 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 41.3 mm -62.42 -43.9 98.7 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 121.16 0.505 . . . . 0.0 109.876 174.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.9 mtp85 -60.91 -45.15 95.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.983 177.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 9' ' ' ASP . 86.1 t -61.46 -50.26 81.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.713 -176.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.639 ' CD2' ' HA ' ' A' ' 11' ' ' ILE . 12.2 p80 -67.1 -27.86 67.69 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.792 -178.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.05 -49.16 68.95 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.782 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.416 ' HB3' ' HG3' ' A' ' 117' ' ' PRO . . . -69.38 -31.02 69.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.989 0.423 . . . . 0.0 110.678 178.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -66.26 -38.89 88.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.303 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.19 -27.77 22.81 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.958 -177.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.691 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 1.9 t80 -55.24 148.35 31.6 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.862 -177.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.691 ' HA ' ' CG ' ' A' ' 19' ' ' TYR . 89.5 Cg_endo -80.06 -3.76 40.8 Favored 'Cis proline' 0 C--N 1.351 0.69 0 C-N-CA 124.171 -1.179 . . . . 0.0 113.816 4.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -71.26 147.93 47.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.457 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -77.52 77.54 4.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.187 0.518 . . . . 0.0 111.398 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.61 100.33 0.74 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.917 176.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 59.3 m -110.81 176.02 5.19 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.946 0.403 . . . . 0.0 110.989 -175.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 174.7 -158.03 25.78 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.036 -178.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -120.3 152.09 38.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.844 0.354 . . . . 0.0 111.096 -175.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.1 mt -100.07 123.33 44.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.688 176.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.473 HD22 ' HB1' ' A' ' 71' ' ' ALA . 70.3 mt -105.08 131.97 51.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.243 0.544 . . . . 0.0 110.417 -177.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.15 -157.3 16.17 Favored Glycine 0 N--CA 1.441 -0.98 0 N-CA-C 111.456 -0.657 . . . . 0.0 111.456 -178.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.448 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 1.3 p -136.51 148.73 47.78 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.751 0.31 . . . . 0.0 111.506 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.5 ' HA ' ' O ' ' A' ' 36' ' ' ASP . 62.2 t -98.19 131.88 44.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 173.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.1 p -73.38 176.61 5.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.833 0.349 . . . . 0.0 111.011 -177.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -67.28 -28.25 67.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.186 177.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -87.38 -12.3 46.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.686 -177.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.86 16.44 13.92 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.518 -0.849 . . . . 0.0 113.105 175.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.5 ' O ' ' HA ' ' A' ' 31' ' ' VAL . 11.6 m-20 -76.95 139.8 40.26 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 117.048 0.424 . . . . 0.0 110.57 176.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -102.4 108.69 20.11 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.499 175.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' ' 30' ' ' THR . 7.8 ptm180 -110.31 136.5 49.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.269 0.557 . . . . 0.0 109.864 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.475 HG21 ' HE1' ' A' ' 1' ' ' MET . 59.5 t -107.82 121.21 60.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.957 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.302 -178.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.91 -30.41 7.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.611 -177.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.402 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . . . -135.1 154.17 51.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.339 . . . . 0.0 111.354 -176.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.3 mt -116.33 148.39 40.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.7 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -133.67 122.13 22.98 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.474 176.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 -90.22 140.25 29.86 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.751 176.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.167 0 CA-C-O 121.054 0.454 . . . . 0.0 110.706 178.287 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.428 ' CG ' ' H ' ' A' ' 64' ' ' TYR . 5.5 t70 . . . . . 0 CA--C 1.538 0.513 0 CA-C-O 121.048 0.452 . . . . 0.0 111.417 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.428 ' H ' ' CG ' ' A' ' 63' ' ' ASP . 71.5 t80 -59.71 -43.29 94.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.618 -172.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -53.98 -37.14 63.66 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -173.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.39 -41.43 63.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.88 0.372 . . . . 0.0 111.29 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.52 -34.69 76.32 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.179 177.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -58.38 -46.51 86.2 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.872 177.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.87 -49.6 56.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.217 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.39 -32.96 72.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.186 -178.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.473 ' HB1' HD22 ' A' ' 28' ' ' LEU . . . -62.72 -51.91 65.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.438 177.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -64.71 -36.28 83.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.733 -178.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.3 -36.52 78.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.156 0.503 . . . . 0.0 111.251 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -86.42 -3.29 58.98 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.078 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.07 26.52 52.64 Favored Glycine 0 N--CA 1.454 -0.164 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.426 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 74.9 mt -127.65 -178.21 4.39 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -143.09 176.85 8.79 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 173.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.7 t -82.06 101.92 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.966 0.413 . . . . 0.0 110.148 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.6 m -94.95 -17.24 7.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -178.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.525 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -165.17 172.12 40.71 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 119.996 -1.097 . . . . 0.0 113.158 -178.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' A' ' 107' ' ' TYR . 9.7 t -135.16 157.77 40.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 177.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -137.43 145.5 43.24 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.249 -0.58 . . . . 0.0 111.564 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 66.1 m170 -122.62 147.18 46.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.586 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -107.37 141.83 38.12 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 176.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.407 ' O ' ' HE1' ' A' ' 19' ' ' TYR . 20.1 m170 -106.98 140.42 21.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.414 178.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -98.49 -3.65 0.97 Allowed 'Trans proline' 0 N--CA 1.451 -0.986 0 C-N-CA 123.285 2.657 . . . . 0.0 112.086 173.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -151.82 136.34 16.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.332 -173.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 25.1 m80 66.07 160.5 0.13 Allowed Pre-proline 0 N--CA 1.471 0.605 0 O-C-N 123.886 0.742 . . . . 0.0 112.051 -178.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.32 -172.11 0.22 Allowed 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.134 2.556 . . . . 0.0 113.492 -178.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.504 ' HB3' ' HB2' ' A' ' 111' ' ' SER . . . -83.46 80.99 8.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.489 -177.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.514 ' HD3' ' HZ2' ' A' ' 123' ' ' TRP . 22.0 mmt180 -144.27 149.37 44.6 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 174.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -62.09 125.51 16.6 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.376 2.05 . . . . 0.0 113.11 -176.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.8 t -97.59 178.68 5.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.351 177.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.478 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -66.53 -49.51 66.26 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -173.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.8 m -77.86 -32.77 52.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.356 0.598 . . . . 0.0 109.685 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -59.47 -38.89 81.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.035 177.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.411 HD13 ' C ' ' A' ' 97' ' ' LEU . 3.3 tm? -69.19 -45.3 70.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.198 174.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 52.8 mt-10 -64.57 -26.05 68.24 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -175.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -80.47 4.5 18.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.853 0.358 . . . . 0.0 111.134 177.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -132.85 81.58 1.95 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.95 0.405 . . . . 0.0 110.614 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.5 t -110.32 2.78 19.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 122.197 0.999 . . . . 0.0 109.901 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -108.85 89.16 6.11 Favored Pre-proline 0 C--N 1.315 -0.923 0 CA-C-N 114.347 -1.297 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.537 ' HA ' HD23 ' A' ' 125' ' ' LEU . 43.2 Cg_endo -67.39 143.8 65.11 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.757 2.305 . . . . 0.0 112.594 -177.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.26 -43.48 0.73 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.158 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.525 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 61.8 m-85 -88.95 162.15 16.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.006 0.431 . . . . 0.0 110.993 -178.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.6 m -92.25 122.99 35.25 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 172.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.445 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 98.8 m-85 -102.47 114.33 28.43 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.143 0.497 . . . . 0.0 110.882 -174.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.1 t -98.66 126.34 51.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.949 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.1 mt -110.04 126.8 67.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 175.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.9 p -103.62 133.73 46.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.241 0.543 . . . . 0.0 110.751 -177.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.504 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 20.4 t -91.28 107.2 19.04 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.853 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 40.9 t -124.66 122.24 63.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 176.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 43.7 mtm105 -117.78 95.33 4.88 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.145 0.498 . . . . 0.0 110.941 -177.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.412 ' HA ' ' HE2' ' A' ' 19' ' ' TYR . 29.0 t70 49.33 74.92 0.17 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 114.584 -1.189 . . . . 0.0 111.693 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.419 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 81.17 -20.93 6.3 Favored Glycine 0 CA--C 1.521 0.413 0 CA-C-N 115.75 -0.659 . . . . 0.0 113.445 177.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -96.29 111.24 56.02 Favored Pre-proline 0 C--N 1.328 -0.351 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -176.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 5.8 Cg_exo -78.7 111.63 3.01 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 123.054 2.503 . . . . 0.0 110.757 173.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -88.67 -78.88 0.32 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.814 -173.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -144.71 159.15 43.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.136 0.493 . . . . 0.0 111.587 -172.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.518 HD22 ' HB ' ' A' ' 11' ' ' ILE . 6.9 mp -103.57 133.13 49.11 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.934 178.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 63.5 p -121.35 129.31 53.0 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 173.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.92 136.7 48.79 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.529 ' HB3' ' HB3' ' A' ' 132' ' ' PHE . 54.3 m95 -129.32 142.13 50.91 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.255 -176.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.4 127.68 52.11 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 174.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.537 HD23 ' HA ' ' A' ' 103' ' ' PRO . 43.6 tp -80.18 119.02 22.39 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.97 149.47 81.27 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.307 -178.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.77 -25.64 52.69 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.607 2.204 . . . . 0.0 111.88 177.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -74.23 -11.16 60.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.993 179.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 45.61 29.83 0.7 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.467 1.107 . . . . 0.0 112.632 -178.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 6.4 t -101.07 -20.31 15.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.986 0.422 . . . . 0.0 110.466 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -158.15 172.01 19.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.017 0.437 . . . . 0.0 110.935 -176.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.529 ' HB3' ' HB3' ' A' ' 123' ' ' TRP . 57.0 m-85 -106.83 155.09 20.1 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.397 172.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 61.5 m-70 -124.49 139.14 54.16 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 172.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -65.66 130.7 44.2 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.044 -176.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.51 ' CD ' ' H1 ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -101.53 167.3 10.22 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.16 179.244 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -118.76 137.62 53.24 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.276 0.56 . . . . 0.0 111.321 -173.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 38.3 mm -90.4 114.76 28.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.029 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.471 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 1.4 t -126.36 155.88 36.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.841 -178.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -87.44 144.33 35.53 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.61 -178.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -74.04 103.61 1.7 Allowed 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 122.925 2.416 . . . . 0.0 111.674 175.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.123 179.053 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.633 0.254 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.521 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 13.9 mptt -108.27 123.55 48.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.102 0.477 . . . . 0.0 111.09 176.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.4 t -159.39 173.89 15.56 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.526 177.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 51.8 p -102.78 152.18 38.42 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.646 0.26 . . . . 0.0 110.849 -178.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.431 ' HA ' HD12 ' A' ' 8' ' ' LEU . 12.5 Cg_endo -58.11 -27.68 80.84 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.915 2.41 . . . . 0.0 111.524 175.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -57.22 -44.81 84.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.739 175.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.453 ' O ' HG13 ' A' ' 11' ' ' ILE . 49.4 mm -75.27 -39.03 41.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.282 177.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 5' ' ' PRO . 86.8 mt -56.98 -47.47 80.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.016 -178.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.403 ' O ' HG22 ' A' ' 13' ' ' VAL . 20.7 t70 -64.86 -38.27 90.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.871 0.367 . . . . 0.0 110.224 -178.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -59.32 -30.8 68.61 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.216 175.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 7' ' ' ILE . 63.8 mt -65.11 -42.69 95.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 175.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.451 ' HB3' ' CB ' ' A' ' 117' ' ' PRO . 29.3 mtm180 -63.19 -40.67 98.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.504 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' ' 9' ' ' ASP . 89.3 t -56.71 -45.05 82.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.943 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 48.4 m80 -58.8 -38.27 78.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.344 -179.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.61 -48.26 63.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.426 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.57 -29.04 63.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 111.224 -178.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -73.71 -38.36 64.86 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.229 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.719 ' O ' ' HG2' ' A' ' 21' ' ' GLU . . . -84.28 -29.22 26.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.316 -0.857 . . . . 0.0 112.578 -174.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.478 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 41.3 t80 -46.41 135.79 7.32 Favored Pre-proline 0 N--CA 1.469 0.476 0 O-C-N 123.106 0.254 . . . . 0.0 111.056 -175.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.478 ' HA ' ' CG ' ' A' ' 19' ' ' TYR . 25.6 Cg_endo -91.27 -3.76 52.42 Favored 'Cis proline' 0 N--CA 1.46 -0.487 0 C-N-CA 124.19 -1.171 . . . . 0.0 114.445 4.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.719 ' HG2' ' O ' ' A' ' 18' ' ' ALA . 11.5 pt-20 -71.53 163.81 27.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 110.905 -175.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -75.01 98.79 3.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.066 0.46 . . . . 0.0 110.79 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.471 ' HA3' ' CB ' ' A' ' 18' ' ' ALA . . . -105.11 27.72 17.49 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.699 177.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.0 p -74.43 172.69 11.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.518 -0.341 . . . . 0.0 110.814 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -171.68 -158.81 16.52 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.302 -0.952 . . . . 0.0 112.782 -179.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.462 ' HA ' ' HA ' ' A' ' 81' ' ' VAL . 89.8 m-85 -114.98 156.51 24.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.883 0.373 . . . . 0.0 110.529 -175.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.463 HD12 HG22 ' A' ' 108' ' ' VAL . 78.9 mt -94.07 119.68 33.27 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.595 179.007 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.425 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 76.9 mt -104.64 135.29 46.31 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.963 0.411 . . . . 0.0 109.909 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.447 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . -177.03 -150.04 8.11 Favored Glycine 0 N--CA 1.439 -1.104 0 C-N-CA 120.522 -0.847 . . . . 0.0 111.604 179.303 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.9 p -135.14 153.46 51.98 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.741 0.305 . . . . 0.0 110.526 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.2 t -90.81 118.93 37.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 175.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.0 p -79.3 173.44 12.58 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 -176.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -65.67 -16.28 63.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.469 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -66.98 -30.75 70.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.474 176.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.88 13.26 55.32 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 -173.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -100.68 169.13 9.24 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.519 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 3.0 m-20 -102.78 108.43 19.66 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -176.454 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.521 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 12.4 ttp180 -96.35 110.39 22.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.526 -177.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.9 t -85.31 124.24 39.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.292 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.21 -20.71 6.11 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.558 -178.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.425 ' HB1' ' HB2' ' A' ' 28' ' ' LEU . . . -139.87 154.64 47.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.897 0.38 . . . . 0.0 111.403 -178.398 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.4 mt -118.79 127.5 53.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.289 -179.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -123.51 121.6 36.07 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.164 -0.309 . . . . 0.0 110.164 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -73.35 139.26 45.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.274 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 121.398 0.618 . . . . 0.0 110.426 177.395 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 . . . . . 0 C--O 1.236 0.353 0 CA-C-O 120.627 0.251 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -57.36 -40.35 77.93 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.874 178.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -56.15 -38.05 70.33 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.216 0.322 . . . . 0.0 111.776 -177.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.56 -39.46 81.02 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.775 0.322 . . . . 0.0 111.174 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.69 -39.59 76.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.997 0.427 . . . . 0.0 110.143 176.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -66.12 -44.45 84.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.783 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.501 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -60.88 -53.64 54.89 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.029 -178.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.94 -34.53 77.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.123 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.408 ' HB1' HD22 ' A' ' 28' ' ' LEU . . . -62.68 -48.88 77.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.092 176.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -67.57 -32.5 73.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.516 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 50.3 mt-10 -60.97 -39.4 89.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.11 0.481 . . . . 0.0 110.8 174.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -82.69 -29.98 29.53 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.66 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.3 26.16 6.71 Favored Glycine 0 C--O 1.229 -0.209 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.098 -178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 70.3 mt -126.51 177.65 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -134.52 175.02 9.91 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 173.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.8 t -85.04 103.84 12.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.423 -176.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.519 ' HB ' ' HB3' ' A' ' 37' ' ' ASN . 27.2 m -100.39 4.99 10.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.741 -175.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.3 -172.11 43.84 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 119.795 -1.193 . . . . 0.0 112.906 178.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.462 ' HA ' ' HA ' ' A' ' 26' ' ' PHE . 2.9 t -138.85 150.88 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -136.93 136.69 38.82 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 28.8 p-80 -147.94 137.05 22.13 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.96 0.41 . . . . 0.0 111.274 -177.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 m -106.76 138.44 42.93 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.487 -177.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 1.4 p80 -166.9 142.08 3.46 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.109 170.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 5.2 Cg_endo -88.88 116.39 0.8 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 123.554 2.836 . . . . 0.0 110.162 171.136 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -165.5 -55.18 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.418 0.628 . . . . 0.0 110.696 -169.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -141.35 154.73 67.52 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.001 178.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -67.43 84.0 0.37 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.731 2.287 . . . . 0.0 113.56 -171.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 58.52 23.13 10.45 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.302 175.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.54 ' HD3' ' O ' ' A' ' 92' ' ' PRO . 0.2 OUTLIER -127.07 152.25 75.48 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 175.34 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.54 ' O ' ' HD3' ' A' ' 91' ' ' ARG . 14.2 Cg_endo -55.94 154.84 25.42 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 123.078 2.519 . . . . 0.0 112.903 -177.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.5 t -97.34 -175.84 3.34 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.427 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -60.49 -43.25 97.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.01 0.433 . . . . 0.0 109.846 176.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.8 m -61.3 -39.56 90.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.103 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -59.76 -43.45 94.31 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.212 178.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.34 -45.01 81.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.773 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 44.0 mt-10 -60.44 -39.02 85.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.309 -0.86 . . . . 0.0 112.717 -176.041 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -109.79 20.67 17.8 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -172.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -108.3 103.41 12.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.987 0.423 . . . . 0.0 110.548 174.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.9 m -142.79 20.52 1.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.187 0.518 . . . . 0.0 110.603 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -130.59 86.45 52.94 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.273 0.558 . . . . 0.0 111.319 -178.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.41 177.64 3.76 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 123.151 2.567 . . . . 0.0 112.169 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 90.33 -22.13 28.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.73 -177.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -100.8 143.07 31.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.262 -0.469 . . . . 0.0 109.838 175.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.1 m -91.34 123.99 35.2 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -93.78 109.03 20.72 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.339 -178.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.463 HG22 HD12 ' A' ' 27' ' ' LEU . 63.3 t -95.22 116.84 37.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-O 121.229 0.538 . . . . 0.0 110.117 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.8 mt -110.98 117.97 56.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.197 177.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.637 ' HB ' HD21 ' A' ' 120' ' ' LEU . 2.8 p -110.12 134.65 51.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.259 -179.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.52 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 29.7 t -81.34 107.36 14.06 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.151 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 65.9 t -112.98 116.61 53.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -108.97 87.65 2.54 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.447 -176.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.456 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 35.7 t70 67.69 -71.79 0.1 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 114.828 -1.078 . . . . 0.0 111.468 179.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -134.51 6.41 4.56 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.598 -0.81 . . . . 0.0 111.82 178.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -115.27 110.79 45.01 Favored Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -176.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.451 ' CB ' ' HB3' ' A' ' 12' ' ' ARG . 7.5 Cg_exo -73.42 101.71 1.39 Allowed 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.725 2.283 . . . . 0.0 110.627 171.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.52 ' HB3' ' HB3' ' A' ' 111' ' ' SER . 42.5 tt0 -74.25 -70.38 0.4 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.666 -172.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -142.83 146.59 34.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.007 0.432 . . . . 0.0 112.163 -174.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.637 HD21 ' HB ' ' A' ' 110' ' ' VAL . 68.6 mt -100.47 122.2 42.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.092 174.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 38.5 p -129.78 132.54 46.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.775 0.322 . . . . 0.0 110.467 176.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.85 135.04 51.37 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.277 0.561 . . . . 0.0 110.499 -178.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -123.44 140.53 52.91 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.102 -174.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -111.28 127.63 55.69 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.461 173.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 55.8 tp -80.5 120.97 25.18 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.73 132.47 86.17 Favored Pre-proline 0 N--CA 1.447 -0.576 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.462 176.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.32 -26.36 61.55 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.605 2.203 . . . . 0.0 111.57 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.12 -18.34 65.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.91 176.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 45.4 mtm180 60.08 41.53 17.06 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.294 0.568 . . . . 0.0 110.811 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.3 t -103.14 -32.66 9.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.725 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -168.96 178.8 4.35 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.564 -174.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -105.19 152.73 22.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.432 173.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -123.78 138.01 54.58 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 173.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -86.17 126.74 34.46 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.506 -178.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -112.23 149.05 32.83 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.497 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -84.72 140.8 31.02 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.875 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 66.8 mt -83.81 115.18 25.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 1.5 t -108.66 155.33 9.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.077 -174.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -105.78 129.65 24.29 Favored Pre-proline 0 C--N 1.311 -1.068 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.018 -176.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.67 140.3 61.54 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.375 2.05 . . . . 0.0 111.831 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.232 177.465 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ttt . . . . . 0 N--CA 1.483 1.207 0 CA-C-O 120.77 0.319 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -107.26 135.75 48.24 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 174.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.405 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 14.6 t -150.97 171.77 16.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.635 0.255 . . . . 0.0 110.678 -177.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.4 ' OG1' HG12 ' A' ' 7' ' ' ILE . 46.4 p -106.96 151.72 40.73 Favored Pre-proline 0 N--CA 1.449 -0.499 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.539 -178.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -57.47 -27.76 77.71 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.652 2.235 . . . . 0.0 111.384 175.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.429 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 21.5 t70 -60.08 -44.91 94.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.933 177.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.568 ' O ' HG12 ' A' ' 11' ' ' ILE . 40.7 mm -62.45 -45.4 98.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.749 178.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.47 HD12 HG23 ' A' ' 137' ' ' ILE . 83.1 mt -62.58 -37.81 87.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.138 -179.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.617 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 16.1 t70 -67.24 -42.55 83.8 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 178.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 49.9 mt-30 -60.71 -30.7 70.11 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.844 175.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.568 HG12 ' O ' ' A' ' 7' ' ' ILE . 42.5 mm -62.34 -46.7 95.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.77 177.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.617 ' HG2' ' O ' ' A' ' 9' ' ' ASP . 25.7 ptt180 -65.93 -31.36 72.24 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.1 178.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 9' ' ' ASP . 99.2 t -68.87 -47.38 76.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.774 178.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.532 ' HD2' ' HA ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -61.78 -28.32 69.37 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 121.134 -0.226 . . . . 0.0 110.704 -177.297 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' A' ' 19' ' ' TYR . . . -66.45 -49.76 54.29 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.112 179.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.83 -34.34 64.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.756 0.312 . . . . 0.0 111.049 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -71.04 -39.46 72.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.19 0.519 . . . . 0.0 111.928 -175.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.471 ' HB2' ' HA3' ' A' ' 23' ' ' GLY . . . -85.69 -27.78 25.1 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.751 -176.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.535 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 0.1 OUTLIER -60.15 150.17 72.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.795 -178.592 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.535 ' HA ' ' CG ' ' A' ' 19' ' ' TYR . 88.4 Cg_endo -83.22 -3.49 53.38 Favored 'Cis proline' 0 C--N 1.345 0.382 0 C-N-CA 123.811 -1.329 . . . . 0.0 113.591 3.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.69 161.41 30.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.189 0.519 . . . . 0.0 111.435 -177.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -77.17 94.91 4.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.569 -177.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.471 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . -114.98 77.54 0.26 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.424 179.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.3 m -86.23 -164.69 1.08 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -177.93 -177.44 46.71 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 119.793 -1.194 . . . . 0.0 113.151 178.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -118.77 154.19 33.21 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.693 0.283 . . . . 0.0 110.473 -177.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.451 HD13 HG21 ' A' ' 108' ' ' VAL . 75.5 mt -94.32 118.71 32.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.013 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 71' ' ' ALA . 58.2 mt -104.75 134.52 47.76 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.92 -154.96 13.59 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 120.294 -0.955 . . . . 0.0 112.318 -178.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 p -135.82 157.85 45.83 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 120.884 0.373 . . . . 0.0 110.512 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.58 106.05 16.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.44 0.638 . . . . 0.0 109.838 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.3 p -74.16 128.35 35.31 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.832 -177.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.7 t70 68.53 1.27 2.9 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 123.705 0.628 . . . . 0.0 110.346 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.6 t70 65.11 30.78 11.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.208 -175.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -133.15 -50.84 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 114.535 -1.212 . . . . 0.0 112.721 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -107.16 161.92 14.33 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -109.23 120.19 41.78 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.678 0.275 . . . . 0.0 111.016 -173.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -100.81 123.22 44.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.835 0.35 . . . . 0.0 110.664 176.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.408 HG13 HD22 ' A' ' 27' ' ' LEU . 54.6 t -89.1 122.79 40.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 174.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.82 -31.5 5.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.767 0.318 . . . . 0.0 111.401 -177.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.43 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -134.62 160.22 38.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.859 0.361 . . . . 0.0 111.161 -177.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.9 mt -126.39 138.36 53.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.259 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 48.5 t60 -119.07 126.99 52.96 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 174.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.7 mtt-85 -85.47 137.28 33.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.295 -177.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.517 178.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 . . . . . 0 C--O 1.234 0.281 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -69.39 -46.0 67.93 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.739 -178.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -57.31 -39.13 75.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.881 0.372 . . . . 0.0 111.194 -177.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.69 -36.09 83.16 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.216 176.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.38 -41.02 77.07 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.024 0.44 . . . . 0.0 110.382 176.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.1 -38.1 81.94 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.265 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.44 -42.04 99.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.926 177.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.425 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . . . -63.78 -32.65 74.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.904 179.046 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.518 ' HB3' HD22 ' A' ' 28' ' ' LEU . . . -64.68 -48.81 73.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.864 175.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -60.44 -36.75 78.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.812 178.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.425 ' OE1' ' HA ' ' A' ' 70' ' ' ALA . 42.0 mt-10 -54.17 -43.36 70.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.387 0.613 . . . . 0.0 111.033 175.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -95.42 2.83 54.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.093 -0.958 . . . . 0.0 112.232 -174.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.68 27.9 73.52 Favored Glycine 0 CA--C 1.517 0.194 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.146 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.3 mt -116.88 -174.46 2.58 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -142.54 172.69 12.35 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 172.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.9 t -83.94 107.29 15.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 -176.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.4 m -96.28 -4.87 10.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.523 -176.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 178.27 -175.92 47.71 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.616 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.3 t -140.6 154.19 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.431 ' HB3' ' HB ' ' A' ' 108' ' ' VAL . 53.7 p90 -133.83 136.49 44.46 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.026 0.441 . . . . 0.0 109.886 175.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -142.54 133.97 26.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.696 -176.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.701 ' HG ' HG13 ' A' ' 110' ' ' VAL . 25.2 m -106.48 128.66 54.25 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.548 -176.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.464 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 3.3 p-80 -125.24 144.59 47.95 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.141 177.201 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 2.7 Cg_exo -76.14 157.85 37.9 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.829 2.353 . . . . 0.0 111.415 175.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.2 t70 71.21 152.24 0.11 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.906 0.754 . . . . 0.0 111.403 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.44 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 36.5 m80 67.44 143.13 0.08 OUTLIER Pre-proline 0 N--CA 1.468 0.455 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.149 -174.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 88' ' ' HIS . 5.9 Cg_exo -78.84 78.02 3.86 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.814 2.342 . . . . 0.0 111.473 178.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.46 ' HB1' ' HB3' ' A' ' 119' ' ' ALA . . . 61.13 -154.49 0.36 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.069 -177.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.417 ' HG2' ' CZ2' ' A' ' 123' ' ' TRP . 44.4 mtm180 65.5 148.06 0.11 Allowed Pre-proline 0 C--O 1.236 0.354 0 O-C-N 123.622 0.577 . . . . 0.0 111.89 -179.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -62.67 124.83 14.83 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.376 2.051 . . . . 0.0 112.0 178.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.8 m -85.25 177.82 7.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.674 176.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.23 -49.28 77.75 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -172.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.5 m -79.92 -33.33 39.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.48 0.657 . . . . 0.0 109.89 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -60.25 -42.28 94.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.165 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.736 ' HG ' ' HE1' ' A' ' 132' ' ' PHE . 6.2 tt -70.23 -42.09 72.7 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.499 177.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -58.39 -39.57 80.02 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -175.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -92.65 8.37 39.38 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -174.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.64 74.61 10.24 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.384 0.612 . . . . 0.0 109.41 172.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.93 19.32 20.72 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.936 -171.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -119.76 86.82 36.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.842 0.353 . . . . 0.0 111.679 -177.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -65.34 156.55 62.62 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.939 2.426 . . . . 0.0 111.882 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.97 -28.76 13.75 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.651 -177.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -90.54 143.95 26.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.899 0.38 . . . . 0.0 110.614 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.5 m -92.01 132.19 36.73 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 175.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -106.44 119.69 39.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.022 0.439 . . . . 0.0 111.449 -174.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.451 HG21 HD13 ' A' ' 27' ' ' LEU . 58.5 t -96.05 121.66 46.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.64 173.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.4 mm -110.23 118.43 57.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.764 -178.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.701 HG13 ' HG ' ' A' ' 84' ' ' SER . 4.0 p -132.8 128.74 57.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.278 178.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.436 ' HB2' ' H ' ' A' ' 90' ' ' ALA . 21.5 t -88.97 107.51 19.06 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.944 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.482 ' HA ' ' HA ' ' A' ' 117' ' ' PRO . 40.1 t -105.36 116.26 48.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 177.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.489 ' C ' ' H ' ' A' ' 115' ' ' GLY . 56.0 mtp180 -125.33 120.02 29.99 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.202 -171.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 22.8 t70 72.08 -16.67 0.4 Allowed 'General case' 0 N--CA 1.472 0.664 0 O-C-N 123.845 0.716 . . . . 0.0 111.688 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.489 ' H ' ' C ' ' A' ' 113' ' ' ARG . . . 138.7 -11.98 3.43 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -177.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.411 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . . . -107.28 119.92 49.37 Favored Pre-proline 0 N--CA 1.453 -0.277 0 CA-C-O 120.727 0.299 . . . . 0.0 111.334 -178.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.482 ' HA ' ' HA ' ' A' ' 112' ' ' VAL . 4.4 Cg_exo -77.85 113.37 3.45 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 123.224 2.616 . . . . 0.0 111.216 173.131 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -83.31 -69.19 0.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.892 0.377 . . . . 0.0 111.381 -176.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.46 ' HB3' ' HB1' ' A' ' 90' ' ' ALA . . . -109.52 128.91 55.53 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.503 -175.198 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.66 124.4 50.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.398 175.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 28.2 p -138.07 137.83 38.17 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 -176.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -110.11 133.74 52.9 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.48 ' CZ3' ' HB2' ' A' ' 134' ' ' ARG . 60.3 m95 -133.04 140.62 47.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.814 -174.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.63 133.45 49.46 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 172.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 65.4 tp -85.06 140.71 30.79 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.698 -176.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.15 142.04 92.38 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 173.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -51.83 -40.57 65.87 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.881 2.387 . . . . 0.0 112.545 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -86.53 1.26 52.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.796 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 12.7 mtm180 61.24 30.43 19.2 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.856 -178.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.6 m -63.95 -43.99 94.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.241 177.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.08 -173.61 3.5 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.947 -177.59 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.736 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 59.9 m-85 -114.75 145.43 42.1 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.526 172.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -122.59 124.59 43.85 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.399 0.619 . . . . 0.0 110.071 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.48 ' HB2' ' CZ3' ' A' ' 123' ' ' TRP . 11.6 tpt180 -73.77 139.57 45.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.501 -1.227 . . . . 0.0 111.474 -174.191 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -131.24 156.27 45.68 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 175.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -96.93 165.72 11.96 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -178.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.47 HG23 HD12 ' A' ' 8' ' ' LEU . 47.2 mm -84.45 113.24 22.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.033 0.444 . . . . 0.0 110.99 -174.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 14.2 m -115.14 141.85 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.243 175.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -85.55 157.54 58.22 Favored Pre-proline 0 N--CA 1.442 -0.861 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.405 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 3' ' ' THR . 45.9 Cg_exo -55.07 115.34 2.37 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.135 1.89 . . . . 0.0 111.027 174.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 N--CA 1.461 0.12 0 O-C-N 123.823 0.702 . . . . 0.0 109.968 179.784 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.525 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 16.7 ttt . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.774 0.321 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.503 ' HZ1' ' CG ' ' A' ' 33' ' ' ASP . 12.2 mptt -101.23 136.46 41.04 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 174.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.0 t -157.72 173.4 16.88 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 175.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.7 p -112.7 154.06 44.87 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.778 0.323 . . . . 0.0 110.927 -176.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.516 ' HA ' HD12 ' A' ' 8' ' ' LEU . 13.0 Cg_endo -57.4 -29.59 84.94 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.059 2.506 . . . . 0.0 112.165 178.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -60.63 -43.14 97.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.253 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.459 ' O ' HG13 ' A' ' 11' ' ' ILE . 49.5 mm -68.22 -43.41 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.393 176.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.528 HD13 HG23 ' A' ' 137' ' ' ILE . 85.4 mt -56.08 -42.25 76.43 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.119 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.664 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 27.2 t70 -67.64 -42.47 82.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.32 -179.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -58.56 -30.86 67.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.225 176.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 7' ' ' ILE . 70.5 mt -71.88 -50.27 39.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.815 0.34 . . . . 0.0 110.768 175.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.664 ' HG2' ' HA ' ' A' ' 9' ' ' ASP . 5.9 ptp180 -66.19 -37.04 84.65 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.947 -174.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.413 HG21 ' O ' ' A' ' 9' ' ' ASP . 70.6 t -64.36 -49.0 82.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-O 120.743 0.306 . . . . 0.0 110.737 -178.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -67.35 -28.86 68.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.615 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.63 -42.55 87.69 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.417 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.25 -34.44 65.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.128 0.489 . . . . 0.0 110.414 178.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -63.71 -37.37 87.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.694 176.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.441 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -107.41 48.72 0.83 Allowed 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.493 -178.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.732 ' CE2' ' HA ' ' A' ' 114' ' ' ASP . 67.1 t80 -90.64 142.0 27.55 Favored Pre-proline 0 C--N 1.326 -0.413 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 177.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.688 ' HA ' ' CD1' ' A' ' 19' ' ' TYR . 84.2 Cg_endo -83.97 -12.6 39.9 Favored 'Cis proline' 0 C--N 1.349 0.591 0 C-N-CA 123.751 -1.354 . . . . 0.0 113.548 2.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 7.8 pt-20 -168.82 114.79 0.61 Allowed 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.138 0.494 . . . . 0.0 111.536 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 28.2 mm-40 -168.35 8.04 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.07 174.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -146.66 39.23 1.1 Allowed Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 119.734 -1.222 . . . . 0.0 114.142 -171.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.0 p -83.8 -175.72 5.94 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 172.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.491 ' HA2' ' HB3' ' A' ' 45' ' ' ALA . . . 161.75 -162.62 34.16 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 119.69 -1.243 . . . . 0.0 113.391 177.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -112.1 160.06 17.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.894 0.378 . . . . 0.0 110.868 -175.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.0 mt -100.76 119.87 39.27 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.202 178.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.5 mt -104.87 134.2 48.39 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.79 -159.13 21.12 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 120.193 -1.003 . . . . 0.0 111.947 -177.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.458 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 0.7 OUTLIER -136.07 161.15 36.49 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 120.909 0.385 . . . . 0.0 110.631 -179.359 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.6 t -88.09 106.85 16.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 174.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.401 ' HB ' ' HD2' ' A' ' 38' ' ' ARG . 7.2 t -91.34 -40.26 11.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.274 -163.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.503 ' CG ' ' HZ1' ' A' ' 2' ' ' LYS . 4.0 m-20 -74.09 -11.43 60.31 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.694 0.759 . . . . 0.0 109.192 173.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.4 t70 70.46 9.7 7.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 113.721 -1.582 . . . . 0.0 108.713 -171.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -136.82 -24.45 0.47 Allowed Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 114.09 -1.413 . . . . 0.0 111.758 176.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -131.47 154.64 48.51 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.525 ' O ' ' HA ' ' A' ' 1' ' ' MET . 9.2 p30 -94.08 147.94 22.65 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 121.524 0.678 . . . . 0.0 112.232 -170.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 30' ' ' THR . 5.2 ptm180 -116.14 146.13 42.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.255 171.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.508 HG23 ' HE3' ' A' ' 1' ' ' MET . 82.0 t -103.59 119.72 52.61 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 176.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.57 -33.57 3.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.464 -175.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.72 133.86 51.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.164 0.507 . . . . 0.0 111.407 -176.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.2 mt -98.82 150.23 22.07 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.096 176.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -146.85 137.57 23.84 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 174.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -91.87 138.05 31.86 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.093 -175.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.491 ' HB3' ' HA2' ' A' ' 25' ' ' GLY . . . . . . . . 0 C--N 1.323 -0.572 0 CA-C-O 121.042 0.449 . . . . 0.0 110.668 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 C--O 1.235 0.302 0 CA-C-O 121.158 0.504 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -55.54 -43.01 75.41 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.57 178.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -35.77 81.85 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.899 -178.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.3 -44.42 87.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.861 0.362 . . . . 0.0 110.902 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.04 -35.45 76.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.083 175.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.19 -44.2 92.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.793 177.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.29 -47.8 82.52 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.423 176.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.65 -34.96 76.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.76 178.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.69 -51.62 67.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.835 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -64.82 -35.1 80.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.665 0.269 . . . . 0.0 111.09 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -62.24 -40.87 97.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.183 0.516 . . . . 0.0 111.94 176.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -83.27 -25.39 31.65 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.644 -177.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.33 30.14 11.32 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -173.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 71.7 mt -123.67 -173.85 2.84 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -176.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -141.11 171.8 13.56 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 171.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.0 t -85.23 107.96 16.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.943 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 35.3 m -93.71 -10.07 9.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.687 -173.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.459 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . 173.62 -168.8 41.8 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 119.795 -1.193 . . . . 0.0 113.15 179.395 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.5 t -137.52 156.68 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -131.66 137.2 48.23 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.4 0.619 . . . . 0.0 111.045 176.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.8 m170 -118.56 151.61 37.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.481 -178.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.8 p -104.96 130.97 53.03 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.853 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.449 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 0.7 OUTLIER -120.77 147.0 44.92 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.707 -179.388 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 2.7 Cg_exo -76.99 -162.45 0.17 Allowed 'Trans proline' 0 CA--C 1.531 0.332 0 C-N-CA 123.881 3.054 . . . . 0.0 113.174 -178.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.45 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 26.1 t70 -46.51 157.08 0.15 Allowed 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.219 1.008 . . . . 0.0 112.245 -179.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.483 ' HB3' ' HD2' ' A' ' 89' ' ' PRO . 41.0 m80 69.1 157.74 0.15 Allowed Pre-proline 0 N--CA 1.474 0.75 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.863 -170.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.483 ' HD2' ' HB3' ' A' ' 88' ' ' HIS . 19.7 Cg_endo -59.36 125.83 19.09 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.161 2.574 . . . . 0.0 112.587 -175.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.41 ' HB1' HG22 ' A' ' 109' ' ' ILE . . . -75.87 97.03 3.82 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.614 -174.447 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -110.08 146.44 34.19 Favored Pre-proline 0 C--N 1.318 -0.796 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 164.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -56.17 128.75 31.45 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.698 2.265 . . . . 0.0 113.342 -173.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.9 m -79.28 -179.19 6.61 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.702 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.589 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -60.87 -47.62 85.56 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.702 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 89.4 m -62.76 -31.93 72.97 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.699 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -57.24 -45.0 84.35 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.127 0.489 . . . . 0.0 109.924 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -70.05 -43.84 70.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.164 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.589 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 47.0 mt-10 -52.56 -40.39 62.52 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.424 -174.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -100.73 6.18 43.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.009 0.433 . . . . 0.0 111.171 -174.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.44 65.57 9.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.253 0.549 . . . . 0.0 110.765 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.532 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 1.2 m -99.21 26.71 5.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.431 -179.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -111.44 87.08 7.32 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.052 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.532 ' HD3' ' O ' ' A' ' 101' ' ' THR . 7.8 Cg_exo -72.48 124.01 9.54 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 122.632 2.221 . . . . 0.0 112.078 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 101.76 12.95 33.46 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.002 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.459 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 19.3 m-85 -112.15 148.1 34.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.802 0.334 . . . . 0.0 110.518 179.099 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 21.7 m -95.85 129.97 42.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.001 176.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.48 ' HH ' HD22 ' A' ' 125' ' ' LEU . 65.8 m-85 -106.37 111.45 24.04 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.848 0.356 . . . . 0.0 110.864 -177.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.0 t -99.06 124.71 52.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.009 0.433 . . . . 0.0 110.145 177.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.41 HG22 ' HB1' ' A' ' 90' ' ' ALA . 53.1 mt -120.26 121.69 66.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.83 178.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.47 HG23 ' HG ' ' A' ' 120' ' ' LEU . 7.2 p -103.68 134.42 44.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.453 0.644 . . . . 0.0 110.924 -177.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.6 m -85.84 106.82 17.34 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.035 178.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.1 t -113.43 114.8 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.057 0.456 . . . . 0.0 110.142 178.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -98.75 90.01 4.54 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.366 -179.137 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.732 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 17.4 t70 56.32 28.67 13.75 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.59 175.22 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 114.66 -7.92 22.12 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.54 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -106.8 101.57 37.6 Favored Pre-proline 0 C--N 1.322 -0.629 0 O-C-N 122.787 -0.243 . . . . 0.0 110.639 176.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -76.98 110.15 2.98 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 123.03 2.487 . . . . 0.0 111.227 177.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -92.92 -68.55 0.79 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.029 0.442 . . . . 0.0 111.471 -174.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -115.74 142.1 47.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.334 -174.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.47 ' HG ' HG23 ' A' ' 110' ' ' VAL . 6.6 mp -114.32 122.57 47.11 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.393 -0.821 . . . . 0.0 108.949 174.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 49.9 p -119.62 135.54 54.76 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.628 -175.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.79 138.47 46.11 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 121.153 0.501 . . . . 0.0 110.035 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.441 ' HB3' ' HB3' ' A' ' 132' ' ' PHE . 77.0 m95 -131.31 139.13 49.5 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.703 -175.285 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.3 132.95 49.99 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.57 174.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.48 HD22 ' HH ' ' A' ' 107' ' ' TYR . 60.1 tp -80.48 131.97 35.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.687 -177.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.35 143.33 98.71 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.799 175.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_exo -52.28 -39.57 72.01 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.953 2.435 . . . . 0.0 112.924 -177.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -92.11 10.29 29.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 -177.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 60.55 24.42 14.1 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.099 0.476 . . . . 0.0 110.677 -177.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.2 m -63.26 -38.35 90.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.846 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -171.74 -175.53 1.57 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.436 -175.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.441 ' HB3' ' HB3' ' A' ' 123' ' ' TRP . 63.2 m-85 -106.75 156.61 18.47 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 170.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -121.09 137.31 54.72 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 22.4 tpt85 -81.94 135.91 35.35 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 114.622 -1.172 . . . . 0.0 111.386 -172.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -146.8 155.99 42.78 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 114.741 -1.118 . . . . 0.0 108.913 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -106.77 171.44 7.36 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.528 HG23 HD13 ' A' ' 8' ' ' LEU . 50.4 mm -83.91 119.71 33.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.021 0.439 . . . . 0.0 111.043 -174.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 11.8 m -109.49 144.67 17.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.421 177.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -91.19 157.22 43.08 Favored Pre-proline 0 C--N 1.318 -0.803 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.122 -179.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -67.14 86.02 0.32 Allowed 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.201 1.934 . . . . 0.0 112.592 178.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--N 1.318 -0.798 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.973 179.394 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.643 ' HA ' ' O ' ' A' ' 36' ' ' ASP . 20.8 ttt . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 120.686 0.279 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -100.5 122.14 42.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.393 176.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.519 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 9.7 t -158.64 167.01 30.69 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.827 175.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.2 p -98.85 153.84 37.66 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 120.838 0.351 . . . . 0.0 111.318 -176.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -54.53 -31.94 71.76 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.0 2.466 . . . . 0.0 111.937 174.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -61.75 -46.71 88.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.6 176.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.51 ' O ' HG13 ' A' ' 11' ' ' ILE . 44.9 mm -63.35 -44.46 99.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.22 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.28 -40.89 83.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.778 177.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -67.28 -43.55 81.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.401 178.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -56.6 -36.59 69.57 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.435 176.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 7' ' ' ILE . 81.3 mt -58.55 -47.0 89.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.084 0.469 . . . . 0.0 110.125 176.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.1 mtm180 -65.13 -46.78 79.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.123 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.0 t -69.03 -48.08 71.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.606 -176.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.24 -28.65 68.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.58 0.229 . . . . 0.0 110.951 -176.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.25 -43.49 98.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.509 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.511 ' HB1' ' HA2' ' A' ' 115' ' ' GLY . . . -73.24 -29.09 62.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.122 0.487 . . . . 0.0 110.491 177.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.86 -37.64 87.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.003 178.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.66 -38.95 80.82 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.677 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.773 ' HE2' ' HB ' ' A' ' 112' ' ' VAL . 23.1 m-30 -69.6 156.11 92.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.876 -176.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.438 ' HA ' ' HB3' ' A' ' 19' ' ' TYR . 2.8 Cg_exo -76.54 -3.14 25.32 Favored 'Cis proline' 0 C--N 1.347 0.456 0 C-N-CA 124.485 -1.048 . . . . 0.0 113.243 4.176 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -73.92 -173.19 1.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.264 177.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.81 -175.22 3.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.674 0.273 . . . . 0.0 111.049 178.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.99 91.79 1.62 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.47 -175.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.4 m -78.96 -163.8 0.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.695 0.283 . . . . 0.0 111.147 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -153.54 -171.81 21.08 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.346 -0.93 . . . . 0.0 112.711 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.437 ' HB3' HG13 ' A' ' 78' ' ' VAL . 94.9 m-85 -114.28 161.4 17.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.683 0.278 . . . . 0.0 110.808 -177.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.638 HD11 HG23 ' A' ' 108' ' ' VAL . 86.4 mt -94.51 122.63 37.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.72 178.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.526 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 58.3 mt -104.44 131.69 51.52 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.933 0.397 . . . . 0.0 110.183 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.543 ' HA2' HD13 ' A' ' 76' ' ' LEU . . . 175.34 -145.48 7.81 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 120.389 -0.91 . . . . 0.0 111.948 -179.107 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -135.98 152.29 50.8 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.701 0.286 . . . . 0.0 111.412 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.7 t -89.97 123.03 41.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 176.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -114.24 119.17 36.13 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -175.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.9 t70 56.71 -85.85 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 114.147 -1.388 . . . . 0.0 113.61 166.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -88.22 -20.64 25.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.017 0.437 . . . . 0.0 111.358 -174.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.2 22.69 7.04 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.44 -0.886 . . . . 0.0 111.044 -174.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.643 ' O ' ' HA ' ' A' ' 1' ' ' MET . 25.6 t70 -66.12 -35.95 81.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.478 0.656 . . . . 0.0 109.677 176.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 75.32 130.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.314 -1.312 . . . . 0.0 112.962 173.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 38' ' ' ARG . 36.7 ttt180 -112.19 106.5 15.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.775 -1.102 . . . . 0.0 109.486 -179.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.407 ' CG2' ' HE3' ' A' ' 1' ' ' MET . 76.4 t -98.88 115.67 39.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.193 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.43 2.9 10.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.993 -175.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.526 ' HB1' ' HB2' ' A' ' 28' ' ' LEU . . . -149.25 140.69 23.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.047 0.451 . . . . 0.0 111.583 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.0 mt -119.57 137.04 54.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.284 177.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -141.94 135.03 28.99 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.099 0.476 . . . . 0.0 110.2 177.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -79.57 138.65 37.54 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.93 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.419 0 CA-C-O 121.173 0.511 . . . . 0.0 110.798 179.799 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 . . . . . 0 CA--C 1.519 -0.25 0 CA-C-O 121.265 0.555 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -60.72 -52.41 65.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.647 -172.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.43 -35.06 71.52 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -176.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.82 -39.22 80.14 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.959 0.409 . . . . 0.0 110.644 178.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.58 -36.93 76.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.925 174.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -59.95 -48.72 80.56 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.865 177.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -56.56 -52.74 63.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.763 178.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.73 -39.74 89.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.914 178.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.52 ' HB1' HD23 ' A' ' 28' ' ' LEU . . . -59.92 -49.54 77.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.657 178.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.91 -33.55 75.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.131 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 36.2 mm-40 -60.93 -43.47 98.58 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 175.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -76.89 -37.43 55.5 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 177.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.29 28.39 3.83 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 -177.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.543 HD13 ' HA2' ' A' ' 29' ' ' GLY . 61.6 mt -126.73 178.87 5.66 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -176.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -135.15 174.0 11.1 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 173.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.437 HG13 ' HB3' ' A' ' 26' ' ' PHE . 46.4 t -78.81 106.26 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.019 -179.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.6 m -101.15 -2.54 9.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.465 -176.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.497 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -179.94 -173.18 44.71 Favored Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 120.031 -1.081 . . . . 0.0 112.505 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.0 t -138.2 156.15 30.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -131.94 137.35 47.91 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.888 0.375 . . . . 0.0 110.255 176.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -130.7 132.76 45.56 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.249 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.521 ' HA ' ' O ' ' A' ' 110' ' ' VAL . 48.2 p -106.88 141.22 38.45 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.089 178.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -98.91 140.09 21.5 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 175.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -102.83 -4.13 0.28 Allowed 'Trans proline' 0 N--CA 1.455 -0.769 0 C-N-CA 123.224 2.616 . . . . 0.0 113.363 176.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -128.71 -65.67 0.87 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.08 -172.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -84.3 157.71 61.76 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.27 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.38 -164.14 0.13 Allowed 'Trans proline' 0 C--O 1.238 0.5 0 C-N-CA 123.161 2.574 . . . . 0.0 114.034 -173.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.21 -173.8 0.73 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.837 -178.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.476 ' HG3' ' CZ2' ' A' ' 123' ' ' TRP . 0.0 OUTLIER 66.16 144.65 0.09 OUTLIER Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.372 -173.234 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.63 137.63 27.92 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.579 2.186 . . . . 0.0 112.249 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 85.5 p -90.69 -178.48 5.29 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.972 178.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.553 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -58.12 -40.93 82.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.809 0.338 . . . . 0.0 110.358 174.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.427 ' HA ' ' OE1' ' A' ' 98' ' ' GLU . 4.6 m -64.73 -34.76 79.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -66.97 -40.26 87.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.007 0.432 . . . . 0.0 109.846 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.54 -40.69 97.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.62 175.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 51.3 mt-10 -57.42 -40.05 77.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.55 177.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -77.53 -18.41 57.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.348 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.63 93.59 6.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.121 0.486 . . . . 0.0 111.261 -177.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.1 m -123.93 18.42 9.32 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.762 0.791 . . . . 0.0 110.018 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.52 ' HB3' ' CD1' ' A' ' 105' ' ' PHE . 94.8 m-85 -117.62 87.2 25.33 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.944 177.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.432 ' HA ' HD23 ' A' ' 125' ' ' LEU . 16.4 Cg_exo -67.75 -5.55 14.63 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 123.042 2.495 . . . . 0.0 113.454 -174.318 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -114.36 19.96 16.55 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.091 178.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.52 ' CD1' ' HB3' ' A' ' 102' ' ' PHE . 7.7 m-85 -119.84 149.47 42.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.729 0.3 . . . . 0.0 110.663 -179.39 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.2 m -92.64 129.49 38.55 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.406 ' HH ' ' HD2' ' A' ' 102' ' ' PHE . 84.1 m-85 -105.7 114.2 28.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.086 0.469 . . . . 0.0 111.068 -177.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.638 HG23 HD11 ' A' ' 27' ' ' LEU . 99.5 t -96.25 120.43 45.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.13 177.148 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 49.0 mm -110.55 118.51 57.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.663 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.551 HG23 ' HB3' ' A' ' 120' ' ' LEU . 2.7 p -124.2 132.58 71.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.512 0.672 . . . . 0.0 111.035 -178.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.508 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 21.5 t -99.3 107.68 20.02 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.347 176.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.773 ' HB ' ' HE2' ' A' ' 19' ' ' TYR . 35.5 t -108.47 115.92 50.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -94.18 61.3 2.87 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -173.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 36.5 t70 54.97 82.36 0.1 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.165 -177.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.511 ' HA2' ' HB1' ' A' ' 16' ' ' ALA . . . 86.14 -30.99 4.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.639 179.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -101.48 106.06 43.83 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 120.898 0.38 . . . . 0.0 111.411 -178.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.455 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 14.7 Cg_exo -69.76 110.12 2.48 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.678 2.252 . . . . 0.0 111.795 178.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.508 ' HB3' ' HB3' ' A' ' 111' ' ' SER . 35.9 tt0 -70.3 -69.79 0.33 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.93 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -153.8 132.83 12.51 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.347 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.551 ' HB3' HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -119.76 139.7 51.89 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 174.271 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.7 m -149.76 156.8 42.45 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.875 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.5 133.4 53.13 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 176.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.476 ' CZ2' ' HG3' ' A' ' 91' ' ' ARG . 73.6 m95 -119.81 146.68 45.48 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.918 -174.045 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.08 126.99 51.63 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.203 175.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 103' ' ' PRO . 61.9 tp -81.09 135.25 35.79 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.56 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.55 125.37 79.43 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 172.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . 0.43 ' HA ' ' HB3' ' A' ' 103' ' ' PRO . 12.4 Cg_endo -56.92 -21.87 43.19 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.841 2.361 . . . . 0.0 112.159 -178.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -83.04 -2.11 54.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.507 178.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 64.16 37.51 8.86 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.781 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.5 m -90.39 -52.24 5.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.29 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -163.41 -175.27 4.14 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.889 -175.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -105.62 149.58 26.19 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -128.21 150.66 49.93 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.913 0.387 . . . . 0.0 110.438 176.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -77.39 139.64 39.75 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.727 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -138.32 152.24 48.31 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 176.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -86.46 137.16 32.76 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.09 0.471 . . . . 0.0 111.259 -177.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 73.2 mt -86.02 115.43 27.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.806 177.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.5 155.63 13.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.744 -176.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.446 HH11 ' HD3' ' A' ' 139' ' ' ARG . 47.9 mtp180 -77.31 147.89 76.73 Favored Pre-proline 0 C--N 1.316 -0.852 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.308 177.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.519 ' HD3' ' O ' ' A' ' 3' ' ' THR . 33.5 Cg_exo -61.24 135.78 60.33 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.764 2.309 . . . . 0.0 111.753 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.752 -178.276 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ttt . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.684 -0.117 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.52 ' HD2' ' OD2' ' A' ' 36' ' ' ASP . 0.5 OUTLIER -95.72 125.95 40.65 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 174.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.1 t -158.42 155.61 28.92 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.866 0.365 . . . . 0.0 110.367 175.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.7 p -82.84 154.91 68.08 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.063 -174.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -60.6 -29.63 88.88 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.591 2.194 . . . . 0.0 111.013 177.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.534 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 21.3 t70 -61.8 -49.16 77.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.71 175.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.583 ' O ' HG13 ' A' ' 11' ' ' ILE . 38.7 mm -66.38 -42.42 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.311 178.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.662 HD21 HG23 ' A' ' 137' ' ' ILE . 77.1 mt -57.13 -43.75 82.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.008 176.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.497 ' O ' HG23 ' A' ' 13' ' ' VAL . 22.2 t70 -62.55 -43.99 97.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.152 178.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 70.4 mt-30 -60.85 -34.79 75.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.144 178.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.583 HG13 ' O ' ' A' ' 7' ' ' ILE . 66.4 mt -65.47 -41.26 90.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-O 120.866 0.365 . . . . 0.0 110.216 176.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -65.24 -49.55 69.22 Favored 'General case' 0 N--CA 1.435 -1.19 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.615 177.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 9' ' ' ASP . 66.6 t -58.21 -35.6 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.408 178.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.491 ' HE1' ' O ' ' A' ' 23' ' ' GLY . 31.6 t-80 -53.68 -29.95 41.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.522 178.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.7 -49.83 74.24 Favored Glycine 0 C--O 1.226 -0.35 0 C-N-CA 120.476 -0.869 . . . . 0.0 111.968 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.89 -40.57 54.17 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.209 0.528 . . . . 0.0 111.048 176.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -66.3 -38.6 88.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.423 -172.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.486 ' O ' ' HB2' ' A' ' 21' ' ' GLU . . . -80.77 -38.2 28.97 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.627 -177.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -69.31 149.13 97.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.719 -174.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -79.83 -1.98 39.0 Favored 'Cis proline' 0 CA--C 1.533 0.469 0 C-N-CA 124.488 -1.047 . . . . 0.0 113.832 4.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.486 ' HB2' ' O ' ' A' ' 18' ' ' ALA . 7.9 mm-40 -65.69 -165.62 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.442 0 CA-C-O 121.043 0.449 . . . . 0.0 111.691 -178.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.47 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 9.7 tp10 -58.29 129.73 43.37 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.186 0.517 . . . . 0.0 111.752 -175.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.491 ' O ' ' HE1' ' A' ' 14' ' ' HIS . . . -108.92 -3.25 31.92 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.161 -178.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 38.8 m -92.68 162.91 13.96 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.985 0.422 . . . . 0.0 110.685 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -179.76 -174.31 45.58 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.099 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -123.87 148.92 46.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.725 0.297 . . . . 0.0 110.604 -176.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.5 mt -94.92 120.62 35.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.902 178.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.45 HD22 ' HB1' ' A' ' 71' ' ' ALA . 72.8 mt -105.25 132.2 51.75 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.87 -154.24 10.54 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.083 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.03 159.98 40.02 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.604 HG13 ' HA ' ' A' ' 34' ' ' ASP . 25.9 t -98.46 117.58 43.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-O 121.398 0.618 . . . . 0.0 109.959 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.6 m -81.37 111.4 17.7 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.755 -175.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 t70 64.83 7.02 3.63 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.046 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.604 ' HA ' HG13 ' A' ' 31' ' ' VAL . 26.4 t70 65.13 17.5 11.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.2 -175.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.2 -42.89 2.91 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.537 177.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.52 ' OD2' ' HD2' ' A' ' 2' ' ' LYS . 42.3 t0 -145.96 158.26 43.87 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.413 ' HA ' ' HA ' ' A' ' 31' ' ' VAL . 8.6 p30 -102.77 147.21 27.14 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.08 0.467 . . . . 0.0 110.992 -174.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 3.8 ptm180 -116.55 147.68 41.59 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.575 0.703 . . . . 0.0 110.213 174.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 55.7 t -97.61 131.21 45.04 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.25 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.155 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.18 -23.11 6.89 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.308 -177.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -153.1 145.23 23.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.873 0.368 . . . . 0.0 110.944 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.6 mt -101.25 131.96 47.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.813 177.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -118.4 122.22 42.26 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.687 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -89.76 139.82 30.19 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.871 176.041 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.456 ' HB3' ' HG2' ' A' ' 22' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.488 0 CA-C-O 121.015 0.436 . . . . 0.0 110.928 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.478 0.939 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -62.37 -43.44 98.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.135 -178.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.83 -35.75 81.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.434 179.248 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.96 -36.89 80.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.916 0.388 . . . . 0.0 110.773 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.22 -41.35 77.14 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 173.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -55.61 -48.87 74.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.485 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -59.71 -53.55 56.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.052 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.42 -32.62 74.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.824 0.345 . . . . 0.0 111.199 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.45 ' HB1' HD22 ' A' ' 28' ' ' LEU . . . -65.51 -51.43 60.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.842 178.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -65.71 -31.64 72.76 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 122.957 0.161 . . . . 0.0 110.864 -178.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 38.9 mt-10 -57.83 -43.63 85.92 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.071 0.462 . . . . 0.0 111.062 172.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -87.98 -9.45 53.49 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.784 -177.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.61 28.09 52.56 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.777 -177.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 64.7 mt -120.83 179.26 4.41 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -177.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -141.34 -179.87 6.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.786 0.327 . . . . 0.0 110.173 173.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.0 t -81.84 106.84 13.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.283 -178.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.1 m -93.45 -23.18 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.041 0.448 . . . . 0.0 111.121 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -165.59 177.28 40.9 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.13 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.2 t -135.54 156.66 38.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -140.06 139.15 35.85 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.257 0.551 . . . . 0.0 111.261 179.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -147.49 131.61 17.33 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.142 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.458 ' HB3' HG11 ' A' ' 110' ' ' VAL . 24.3 p -106.39 149.71 26.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.63 -173.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -162.11 143.82 8.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.291 173.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.518 ' HB3' ' O ' ' A' ' 112' ' ' VAL . 94.6 Cg_endo -92.18 69.65 0.8 Allowed 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 123.516 2.811 . . . . 0.0 113.37 -175.194 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 6.6 p-10 -160.84 154.72 22.56 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 177.134 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 87' ' ' ASP . 72.8 m80 66.56 157.28 0.13 Allowed Pre-proline 0 N--CA 1.468 0.461 0 O-C-N 123.898 0.749 . . . . 0.0 110.94 -174.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -73.17 74.09 3.09 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.593 2.195 . . . . 0.0 111.823 176.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 44.83 72.51 0.2 Allowed 'General case' 0 N--CA 1.465 0.301 0 O-C-N 124.1 0.875 . . . . 0.0 111.887 -179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.515 ' HB2' ' HD2' ' A' ' 92' ' ' PRO . 19.3 ptp180 -162.88 161.76 18.82 Favored Pre-proline 0 N--CA 1.451 -0.415 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.179 -178.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.515 ' HD2' ' HB2' ' A' ' 91' ' ' ARG . 44.8 Cg_endo -69.17 146.37 63.62 Favored 'Trans proline' 0 C--O 1.238 0.5 0 C-N-CA 122.492 2.128 . . . . 0.0 112.932 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.0 m -97.48 -168.85 1.75 Allowed 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.06 173.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.471 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -65.26 -47.35 77.01 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.911 -0.315 . . . . 0.0 110.546 -179.322 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.3 m -60.96 -38.76 87.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.428 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -56.32 -45.29 80.38 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.295 0.569 . . . . 0.0 109.976 177.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.401 ' HA ' ' HE2' ' A' ' 132' ' ' PHE . 7.3 tt -70.49 -43.56 69.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.645 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 54.3 mt-10 -64.31 -26.29 68.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.104 -174.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -95.26 4.39 53.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.757 0.313 . . . . 0.0 111.373 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -92.71 68.41 4.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.414 0.626 . . . . 0.0 110.55 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.75 4.88 53.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.072 -178.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -126.92 85.66 60.51 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.518 -175.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.69 161.16 47.04 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.613 2.208 . . . . 0.0 111.994 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.88 -19.64 52.46 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.728 -177.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -90.64 154.2 19.75 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 176.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 90.5 m -91.84 124.5 36.01 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.412 ' CE2' ' HB2' ' A' ' 125' ' ' LEU . 47.6 m-85 -97.97 108.93 21.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.987 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 61.6 t -101.44 120.77 51.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.083 0.468 . . . . 0.0 109.985 177.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.2 mt -119.45 125.71 74.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.741 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.805 ' HB ' HD21 ' A' ' 120' ' ' LEU . 4.1 p -118.55 131.17 72.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-O 121.138 0.494 . . . . 0.0 109.757 178.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.5 t -82.17 105.98 13.7 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.518 ' O ' ' HB3' ' A' ' 86' ' ' PRO . 60.5 t -110.58 114.8 48.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -95.62 59.31 2.09 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.445 0.641 . . . . 0.0 109.758 -173.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.3 t70 58.69 81.96 0.15 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 114.325 -1.307 . . . . 0.0 111.103 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.448 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 87.84 -22.59 17.07 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.618 179.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -107.52 100.95 37.05 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-O 120.735 0.303 . . . . 0.0 111.624 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.448 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 3.4 Cg_exo -75.53 115.53 4.24 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.84 2.36 . . . . 0.0 111.135 176.117 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -83.8 -72.5 0.46 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.214 -175.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -139.94 151.37 45.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.076 0.465 . . . . 0.0 111.773 -175.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.805 HD21 ' HB ' ' A' ' 110' ' ' VAL . 37.9 mt -101.56 129.73 47.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.939 175.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 20.9 p -131.55 131.68 43.54 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.763 0.316 . . . . 0.0 110.883 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.45 133.58 52.9 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 176.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.511 ' CZ3' ' HB2' ' A' ' 134' ' ' ARG . 61.2 m95 -126.79 139.88 52.78 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.339 -172.052 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -106.62 132.38 52.69 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.504 174.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 129' ' ' ARG . 59.0 tp -80.68 137.56 36.32 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.437 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -67.57 150.16 97.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.801 174.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -52.25 -32.74 51.99 Favored 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 123.044 2.496 . . . . 0.0 113.7 -175.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.496 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 27.9 t70 -98.3 14.23 28.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.659 0.266 . . . . 0.0 110.919 -176.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.518 ' HA ' HD12 ' A' ' 125' ' ' LEU . 6.7 ptp180 51.24 29.41 4.9 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.439 1.096 . . . . 0.0 112.656 174.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.7 p -94.81 -26.61 16.15 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -178.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -153.84 169.18 24.03 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.044 0.45 . . . . 0.0 111.344 178.015 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.401 ' HE2' ' HA ' ' A' ' 97' ' ' LEU . 88.9 m-85 -113.47 152.08 30.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.607 177.031 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -126.5 136.36 52.5 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 169.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.511 ' HB2' ' CZ3' ' A' ' 123' ' ' TRP . 9.9 ttt180 -75.57 146.08 40.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.24 0.543 . . . . 0.0 111.97 -172.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -128.74 154.76 46.03 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 176.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -98.39 148.17 23.96 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.964 0.411 . . . . 0.0 110.45 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.662 HG23 HD21 ' A' ' 8' ' ' LEU . 3.8 mp -84.25 128.71 38.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.925 -178.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 15.6 m -109.31 144.79 16.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.735 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 139' ' ' ARG . 4.4 mpt_? -83.37 133.39 47.46 Favored Pre-proline 0 N--CA 1.446 -0.653 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 176.188 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.02 158.39 47.92 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.475 2.117 . . . . 0.0 112.175 -175.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.243 179.456 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.422 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.44 ' HZ1' ' CG ' ' A' ' 36' ' ' ASP . 13.5 mptt -96.97 118.77 34.12 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.893 0.378 . . . . 0.0 111.125 -177.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.422 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 10.9 t -160.15 173.16 16.2 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 175.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.447 ' OG1' HG12 ' A' ' 7' ' ' ILE . 37.7 p -94.1 148.18 34.71 Favored Pre-proline 0 C--N 1.321 -0.665 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.698 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.71 -25.84 80.35 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.97 2.446 . . . . 0.0 111.694 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 33.0 t70 -61.93 -42.5 99.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.481 176.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.549 ' O ' HG13 ' A' ' 11' ' ' ILE . 44.6 mm -61.86 -44.22 98.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.146 176.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.516 HD13 HG23 ' A' ' 137' ' ' ILE . 83.3 mt -56.29 -44.1 79.5 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.008 178.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -65.37 -43.85 89.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.305 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 46.7 mt-30 -61.38 -36.16 79.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.119 178.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.549 HG13 ' O ' ' A' ' 7' ' ' ILE . 80.1 mt -59.17 -45.43 92.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.751 0.31 . . . . 0.0 110.236 175.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.02 -49.17 78.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.764 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 65.3 t -63.34 -48.5 87.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 -178.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.518 ' HB3' ' HD3' ' A' ' 44' ' ' ARG . 18.7 m-70 -66.65 -27.83 67.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.345 -179.575 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.2 -43.16 81.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.876 176.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.04 -28.35 63.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.19 0.519 . . . . 0.0 110.237 176.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -65.55 -38.56 89.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.632 175.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.82 -42.0 91.13 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.992 -1.003 . . . . 0.0 111.108 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -63.96 151.54 89.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.741 178.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -78.93 -3.88 36.28 Favored 'Cis proline' 0 C--O 1.234 0.312 0 C-N-CA 124.071 -1.22 . . . . 0.0 113.309 2.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -68.96 -176.86 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.089 0.471 . . . . 0.0 111.142 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -81.33 143.68 32.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.331 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -122.64 -110.37 2.03 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.358 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.3 p 50.43 -173.51 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.302 1.041 . . . . 0.0 112.562 -177.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 145.65 -166.81 27.73 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.023 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -111.44 157.08 20.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.961 0.41 . . . . 0.0 111.384 -176.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.0 mt -99.66 128.83 45.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.088 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.495 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 84.1 mt -104.47 138.42 40.88 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.02 0.438 . . . . 0.0 110.609 -177.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.65 -149.89 8.45 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.499 ' HA ' ' OD1' ' A' ' 77' ' ' ASP . 0.7 OUTLIER -137.52 145.31 42.8 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 117.261 0.531 . . . . 0.0 111.464 175.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.5 t -90.8 124.02 43.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.318 176.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.9 p -72.87 173.84 8.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.109 0.48 . . . . 0.0 111.278 -174.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -84.88 -6.77 59.35 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.312 -176.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -100.59 -29.46 12.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.557 179.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.62 -2.35 4.51 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 119.999 -1.096 . . . . 0.0 112.958 178.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.44 ' CG ' ' HZ1' ' A' ' 2' ' ' LYS . 4.4 m-20 -78.32 154.57 30.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.001 0.429 . . . . 0.0 110.914 176.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.514 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 84.6 m-20 -115.48 123.77 49.4 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.135 -0.938 . . . . 0.0 108.851 176.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -115.76 139.6 50.01 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.717 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.8 t -105.67 123.12 59.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.403 -175.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.27 -25.11 7.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.804 -177.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.495 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -144.02 163.46 33.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.807 0.336 . . . . 0.0 111.384 -176.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.1 mt -123.07 152.18 41.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.12 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -134.62 121.93 21.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.743 0.306 . . . . 0.0 110.289 176.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.518 ' HD3' ' HB3' ' A' ' 14' ' ' HIS . 76.1 mtm180 -109.07 132.12 54.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.714 176.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.607 0 CA-C-O 121.225 0.536 . . . . 0.0 110.712 177.741 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 C--O 1.234 0.238 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 94.2 t80 -56.27 -51.57 67.65 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.261 -177.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 46.1 mtp85 -61.25 -36.89 81.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.561 0.22 . . . . 0.0 111.493 -177.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.86 -44.13 73.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.739 0.304 . . . . 0.0 110.709 178.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.427 ' HB2' HD21 ' A' ' 28' ' ' LEU . . . -64.5 -39.53 93.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.208 176.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -61.76 -45.86 92.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.605 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.548 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -61.68 -53.31 57.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.625 178.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.91 -32.37 71.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.975 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.494 ' HB1' HD23 ' A' ' 28' ' ' LEU . . . -64.27 -51.68 62.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.184 176.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -36.6 78.56 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 123.234 0.334 . . . . 0.0 110.657 179.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.548 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 99.3 mt-10 -59.75 -39.33 84.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.22 176.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -93.17 -3.64 53.55 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.049 -178.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.59 23.13 60.8 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.462 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.0 mt -114.24 175.4 5.49 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 122.613 0.365 . . . . 0.0 110.025 -179.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.499 ' OD1' ' HA ' ' A' ' 30' ' ' THR . 5.1 p-10 -137.78 -175.07 3.96 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 174.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.7 t -98.05 107.99 21.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.796 0.332 . . . . 0.0 110.278 -178.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.514 ' HB ' ' HB3' ' A' ' 37' ' ' ASN . 29.6 m -93.41 -13.45 8.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.757 -176.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.404 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -178.79 -174.64 45.18 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 120.03 -1.081 . . . . 0.0 112.722 -179.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.1 t -136.8 154.78 32.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.495 ' OH ' ' HG2' ' A' ' 44' ' ' ARG . 18.6 p90 -127.28 136.29 51.76 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.066 176.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.401 ' HB2' HG12 ' A' ' 109' ' ' ILE . 57.8 m170 -110.88 143.56 41.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.701 -176.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.4 m -105.73 126.58 52.32 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -117.72 154.2 50.91 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.623 -179.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -74.78 -161.78 0.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 123.245 2.63 . . . . 0.0 110.758 170.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -49.14 -33.06 11.23 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 176.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -53.35 151.32 10.2 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.941 178.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -37.39 145.33 0.12 Allowed 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 124.867 3.712 . . . . 0.0 115.557 -174.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.11 7.04 29.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.526 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.91 148.1 34.17 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.248 175.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.45 122.97 12.56 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.843 2.362 . . . . 0.0 112.713 -177.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.3 t -88.69 -174.91 4.73 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.507 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -57.75 -48.8 78.61 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -173.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.2 m -74.98 -33.65 61.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.113 0.482 . . . . 0.0 110.682 -177.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -62.94 -40.4 97.53 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.724 ' HG ' ' HE1' ' A' ' 132' ' ' PHE . 7.6 tt -69.24 -37.55 78.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.382 177.193 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 37.9 mt-10 -60.63 -32.69 71.84 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -177.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -87.67 -6.73 58.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.802 0.334 . . . . 0.0 111.577 -178.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.0 76.77 10.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.5 0.667 . . . . 0.0 109.717 175.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.417 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 6.2 t -98.6 -13.41 20.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.036 -175.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -116.48 86.54 18.4 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.892 -176.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 101' ' ' THR . 18.8 Cg_exo -65.3 172.83 7.06 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.951 2.434 . . . . 0.0 112.466 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 95.66 -35.18 4.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 111.576 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.404 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 35.8 m-85 -75.57 149.23 38.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.793 0.33 . . . . 0.0 110.117 175.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.7 m -92.04 123.34 35.33 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 177.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -100.55 115.43 30.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.931 0.396 . . . . 0.0 110.852 -177.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' A' ' 82' ' ' TYR . 58.7 t -104.58 126.38 59.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.191 176.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.401 HG12 ' HB2' ' A' ' 83' ' ' HIS . 54.4 mt -122.78 131.42 73.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 120.741 0.305 . . . . 0.0 110.227 -178.097 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.0 p -127.15 128.28 70.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.32 0.581 . . . . 0.0 111.099 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.4 m -87.89 111.88 21.92 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.523 175.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.482 ' HA ' ' HA ' ' A' ' 117' ' ' PRO . 40.8 t -107.27 115.65 49.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.631 179.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -94.0 92.08 7.18 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.03 -177.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.5 t70 54.14 49.0 19.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.98 177.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 91.94 0.61 71.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.832 177.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -117.22 99.51 52.75 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.802 0.334 . . . . 0.0 110.944 177.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.482 ' HA ' ' HA ' ' A' ' 112' ' ' VAL . 14.1 Cg_exo -69.45 117.02 4.81 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.892 2.394 . . . . 0.0 111.318 178.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -100.64 -69.96 0.75 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.921 -177.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -102.23 121.92 43.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.895 -176.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.6 tt -120.45 121.35 38.31 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 175.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.0 m -136.67 157.04 47.7 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.913 0.387 . . . . 0.0 110.974 -175.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -122.3 139.02 54.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.192 0.52 . . . . 0.0 109.943 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -132.02 145.16 51.27 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.483 -172.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -108.75 132.35 54.05 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.654 173.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 67.2 tp -88.22 130.31 35.11 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.95 144.8 90.06 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.875 176.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.92 -30.06 84.45 Favored 'Trans proline' 0 N--CA 1.473 0.28 0 C-N-CA 122.79 2.327 . . . . 0.0 112.584 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -88.44 0.7 55.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.463 -179.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 57.14 29.94 17.46 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.404 -176.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 25.8 t -68.19 -46.17 71.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.978 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -165.21 -177.52 4.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.895 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.724 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 63.5 m-85 -106.59 146.3 30.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.838 176.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -124.11 136.72 54.42 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 174.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -57.36 138.68 54.63 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.12 -178.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -127.44 148.95 50.3 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 174.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -96.62 146.22 25.04 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.757 -177.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.516 HG23 HD13 ' A' ' 8' ' ' LEU . 4.1 mp -85.32 114.93 26.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 175.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 10.4 m -110.91 150.53 13.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.598 -178.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 46.9 mtt180 -84.38 152.39 60.89 Favored Pre-proline 0 C--N 1.315 -0.892 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.529 -177.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 3' ' ' THR . 45.7 Cg_exo -55.52 102.84 0.1 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.353 2.035 . . . . 0.0 112.567 178.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.525 174.66 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.46 ' HE1' HG21 ' A' ' 39' ' ' VAL . 22.4 ttt . . . . . 0 N--CA 1.476 0.843 0 CA-C-O 121.171 0.51 . . . . 0.0 111.265 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -90.24 137.21 32.53 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 170.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.484 HG23 HD21 ' A' ' 8' ' ' LEU . 8.9 t -154.73 149.32 26.39 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 120.87 0.367 . . . . 0.0 110.67 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.7 p -99.27 153.14 37.93 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.517 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.55 -35.09 65.55 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 123.378 2.718 . . . . 0.0 112.983 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.433 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 5.1 p-10 -65.04 -38.33 90.52 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.098 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.552 ' O ' HG13 ' A' ' 11' ' ' ILE . 40.4 mm -70.13 -44.61 77.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.746 0.308 . . . . 0.0 110.296 178.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.484 HD21 HG23 ' A' ' 3' ' ' THR . 88.2 mt -54.76 -43.26 72.58 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.588 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.621 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 24.1 t70 -68.47 -42.89 78.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.104 0.478 . . . . 0.0 110.39 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 50.3 mt-30 -59.93 -30.31 68.97 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.268 177.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 7' ' ' ILE . 76.4 mt -65.01 -50.48 74.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.458 0.171 . . . . 0.0 110.648 176.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.621 ' HG2' ' O ' ' A' ' 9' ' ' ASP . 4.8 ptm180 -65.61 -35.07 79.73 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 120.625 0.25 . . . . 0.0 110.792 -179.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 9' ' ' ASP . 93.6 t -65.28 -38.98 83.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 120.768 0.318 . . . . 0.0 110.554 176.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -65.22 -28.83 69.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.036 177.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.16 -40.7 96.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.344 174.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.52 -26.41 60.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.886 0.375 . . . . 0.0 110.48 176.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -74.16 -38.9 63.56 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.684 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.88 -44.66 72.81 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.938 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -69.03 149.77 97.71 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.22 -178.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -79.79 -2.52 39.13 Favored 'Cis proline' 0 C--N 1.345 0.365 0 C-N-CA 124.077 -1.218 . . . . 0.0 113.812 5.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -65.79 164.14 15.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.218 0.532 . . . . 0.0 111.342 -177.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -93.41 97.94 10.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.735 -177.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -151.18 142.4 9.48 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.697 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.2 p -102.48 -164.59 1.1 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 175.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.584 ' HA3' ' CZ ' ' A' ' 82' ' ' TYR . . . -141.99 150.02 21.67 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.208 -0.996 . . . . 0.0 112.214 178.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -109.7 148.16 31.87 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.833 0.349 . . . . 0.0 110.159 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.6 mt -103.88 113.96 27.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.04 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.511 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 66.7 mt -107.46 132.94 52.66 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 178.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.543 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . -169.02 -160.08 16.26 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 119.304 -1.427 . . . . 0.0 114.069 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.461 ' HB ' ' HG3' ' A' ' 147' ' ' GLU . 32.5 p -117.28 160.09 21.65 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.193 -0.503 . . . . 0.0 110.792 -176.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.4 t -90.81 115.35 29.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.0 p -69.33 162.92 26.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.476 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -63.4 -19.18 64.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.303 -176.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -75.31 -17.76 60.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.12 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.28 -2.06 59.23 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.485 -173.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -92.68 169.01 10.83 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -102.27 143.5 31.97 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.057 -0.402 . . . . 0.0 111.734 -176.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.543 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 66.8 ttt180 -115.6 127.59 55.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.863 170.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.46 HG21 ' HE1' ' A' ' 1' ' ' MET . 55.1 t -81.93 121.68 35.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 176.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.02 -22.58 6.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.163 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.511 ' HB1' ' HB2' ' A' ' 28' ' ' LEU . . . -133.8 148.61 51.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.432 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.0 mt -127.0 142.1 51.63 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.806 -177.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -150.37 122.65 8.38 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.943 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.447 ' HA ' ' HA2' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -91.53 139.65 30.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.525 -178.276 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.593 ' HA ' ' HB3' ' A' ' 62' ' ' ASP . . . -76.17 63.84 1.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.351 0.596 . . . . 0.0 110.949 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.0 m -152.01 132.36 13.71 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 177.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.47 ' N ' HD21 ' A' ' 47' ' ' ASN . 0.9 OUTLIER -71.09 116.45 11.4 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.111 0.481 . . . . 0.0 111.572 -171.221 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -116.38 89.86 3.2 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.301 172.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -138.36 106.59 5.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.14 0.495 . . . . 0.0 110.939 -175.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.7 m -92.48 178.26 5.87 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 172.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -79.72 84.02 5.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.335 0.588 . . . . 0.0 110.143 177.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -106.18 138.8 41.73 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.121 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -97.28 90.17 5.01 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.163 0.506 . . . . 0.0 110.73 -176.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.3 t -161.59 169.69 21.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.379 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -83.32 144.5 29.65 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.199 0.524 . . . . 0.0 110.824 -178.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.14 150.61 21.31 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.58 -173.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -68.29 -41.47 80.94 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 172.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -158.86 -68.58 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.73 174.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.471 ' HG ' ' N ' ' A' ' 60' ' ' THR . 36.5 tp -170.2 170.09 7.48 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 175.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.471 ' N ' ' HG ' ' A' ' 59' ' ' LEU . 10.1 t -96.95 130.53 44.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.134 0.492 . . . . 0.0 109.873 176.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -160.38 -38.45 0.05 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.018 -176.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.593 ' HB3' ' HA ' ' A' ' 45' ' ' ALA . 5.9 m-20 67.66 13.04 9.15 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.412 175.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -73.76 165.93 24.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.223 173.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -53.02 -46.1 68.24 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -64.33 -40.69 96.4 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-O 120.907 0.384 . . . . 0.0 111.243 -178.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.92 -38.41 90.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.613 176.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.19 -34.81 75.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.382 176.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.64 -46.3 90.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.363 176.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.52 -45.52 86.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.884 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.44 -33.34 74.61 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.801 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.441 ' HB1' ' HA ' ' A' ' 77' ' ' ASP . . . -61.65 -49.4 76.69 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.135 175.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -62.78 -36.45 83.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.005 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.562 ' O ' ' HB3' ' A' ' 153' ' ' HIS . 14.6 mm-40 -58.93 -34.66 71.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.242 0.544 . . . . 0.0 111.565 175.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -92.49 -4.12 54.1 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.548 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.521 ' HA3' ' O ' ' A' ' 151' ' ' HIS . . . 76.48 28.38 59.74 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.448 -178.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.9 mt -125.64 -173.19 2.77 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.441 ' HA ' ' HB1' ' A' ' 71' ' ' ALA . 3.4 p-10 -147.78 176.27 10.26 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 169.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.4 t -80.83 105.57 10.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.267 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.4 m -95.3 -10.28 9.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.307 -176.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.468 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -174.14 176.64 46.55 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.434 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' A' ' 107' ' ' TYR . 4.0 t -139.39 156.64 27.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.584 ' CZ ' ' HA3' ' A' ' 25' ' ' GLY . 35.7 p90 -144.57 147.85 33.67 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.002 0.43 . . . . 0.0 110.711 177.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -147.29 142.47 27.2 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.403 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.679 ' HG ' HG11 ' A' ' 110' ' ' VAL . 5.1 m -106.11 141.5 37.38 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.016 -178.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.47 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 0.9 OUTLIER -144.16 143.53 22.8 Favored Pre-proline 0 C--N 1.321 -0.635 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.866 174.311 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 2.1 Cg_endo -83.43 63.14 7.48 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 123.087 2.525 . . . . 0.0 111.589 178.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -167.21 121.13 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.387 -0.824 . . . . 0.0 108.965 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 51.7 m80 66.25 141.87 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 O-C-N 124.055 0.847 . . . . 0.0 110.234 -168.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.568 ' O ' ' HB2' ' A' ' 111' ' ' SER . 37.5 Cg_exo -58.94 -56.07 1.62 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.63 2.22 . . . . 0.0 112.994 -178.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.423 ' HB1' ' OG1' ' A' ' 121' ' ' THR . . . -165.32 83.17 0.35 Allowed 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.414 -0.514 . . . . 0.0 112.242 -176.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -167.77 148.12 4.6 Favored Pre-proline 0 N--CA 1.45 -0.449 0 CA-C-N 115.419 -0.81 . . . . 0.0 108.972 170.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.67 149.84 89.89 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.827 2.351 . . . . 0.0 112.586 -178.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.2 t -97.25 -170.49 2.03 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.07 -49.46 36.28 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.693 -175.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.571 ' O ' ' HG2' ' A' ' 99' ' ' GLU . 15.7 m -67.05 -49.21 65.92 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -174.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -67.58 -30.0 69.5 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.849 -177.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.566 ' HG ' ' CE1' ' A' ' 132' ' ' PHE . 7.6 tt -64.12 -43.0 96.62 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.484 0.659 . . . . 0.0 109.25 171.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -68.6 -32.77 72.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.755 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 95' ' ' THR . 7.9 mm-40 -82.5 1.02 39.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.304 -178.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.72 94.28 3.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.16 0.505 . . . . 0.0 110.644 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.601 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 11.1 m -83.25 -18.12 40.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.805 -176.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -110.12 88.48 7.11 Favored Pre-proline 0 C--N 1.327 -0.373 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -173.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.601 ' HD3' ' O ' ' A' ' 101' ' ' THR . 13.2 Cg_exo -70.62 -0.69 8.02 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.958 2.439 . . . . 0.0 112.714 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -105.53 5.97 41.3 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.246 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.468 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 2.6 m-85 -104.93 153.24 21.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.808 0.337 . . . . 0.0 110.444 -179.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.404 HG23 ' HB2' ' A' ' 1' ' ' MET . 41.4 m -92.71 123.0 35.67 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.446 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 65.4 m-85 -101.23 117.12 34.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.465 -177.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.557 ' HB ' ' HB3' ' A' ' 82' ' ' TYR . 64.2 t -96.32 126.25 49.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-O 121.292 0.568 . . . . 0.0 110.345 178.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.3 mm -109.67 123.76 65.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 176.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.679 HG11 ' HG ' ' A' ' 84' ' ' SER . 2.4 p -128.9 137.66 56.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 121.284 0.564 . . . . 0.0 110.538 -174.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.568 ' HB2' ' O ' ' A' ' 89' ' ' PRO . 34.6 t -80.53 106.8 12.81 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.595 -178.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 116' ' ' ALA . 69.1 t -125.8 114.43 39.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 172.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 49.2 ttp85 -107.01 92.9 4.27 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.165 -176.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 33.7 t70 60.43 29.92 19.38 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.085 176.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 119.1 -19.11 10.19 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.911 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' A' ' 112' ' ' VAL . . . -91.1 110.77 44.58 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.668 0.234 . . . . 0.0 111.314 -179.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.401 ' CB ' ' HB2' ' A' ' 12' ' ' ARG . 1.7 Cg_endo -83.89 115.24 2.05 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 123.348 2.699 . . . . 0.0 112.003 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.528 ' HB3' ' HB3' ' A' ' 111' ' ' SER . 43.2 tt0 -95.71 -74.26 0.56 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.721 -174.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -137.8 155.37 49.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.614 0.245 . . . . 0.0 111.273 -175.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.468 ' HG ' ' CG2' ' A' ' 110' ' ' VAL . 5.0 mp -119.25 144.17 46.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.719 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.423 ' OG1' ' HB1' ' A' ' 90' ' ' ALA . 28.7 p -138.41 143.31 39.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.702 -0.227 . . . . 0.0 110.512 176.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.75 134.35 52.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.862 0.363 . . . . 0.0 110.387 178.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -129.01 143.5 50.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.946 -175.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -108.92 129.06 55.42 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.7 176.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.563 HD23 ' HA ' ' A' ' 103' ' ' PRO . 55.2 tp -81.12 134.53 35.66 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.7 142.27 94.64 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.325 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -59.88 -26.37 82.1 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.909 2.406 . . . . 0.0 112.601 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -86.51 -11.13 52.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.306 176.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 129' ' ' ARG . 12.4 ttp180 55.59 71.76 0.53 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.87 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 70.6 m -118.14 -32.81 4.6 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.114 172.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.52 ' HA ' HD11 ' A' ' 97' ' ' LEU . 11.4 pt-20 -162.59 -178.89 6.51 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.567 -179.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.566 ' CE1' ' HG ' ' A' ' 97' ' ' LEU . 46.5 m-85 -106.39 154.04 21.38 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.078 178.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -124.27 145.88 49.11 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 175.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 10.8 tpt85 -82.23 133.62 35.26 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 121.257 0.551 . . . . 0.0 110.88 -173.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -117.51 149.55 40.42 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 175.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -86.4 154.53 21.11 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -176.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 47.7 mm -82.92 112.76 21.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 16.5 m -116.99 134.36 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.798 0 CA-C-O 121.65 0.738 . . . . 0.0 111.333 -176.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 67.8 mtm180 -83.55 145.63 48.31 Favored Pre-proline 0 C--N 1.313 -1.0 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.467 174.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -58.27 144.25 96.04 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.062 1.841 . . . . 0.0 111.102 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.46 ' C ' ' H ' ' A' ' 143' ' ' GLU . 8.7 m-20 -52.91 142.69 33.84 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.144 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -71.96 29.51 0.25 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.134 2.556 . . . . 0.0 113.689 -172.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.46 ' H ' ' C ' ' A' ' 141' ' ' ASP . 40.3 mt-10 -139.78 -56.21 0.56 Allowed 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.503 179.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . 57.35 93.32 0.05 OUTLIER Pre-proline 0 N--CA 1.466 0.349 0 O-C-N 123.928 0.768 . . . . 0.0 112.141 176.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.5 -174.52 0.56 Allowed 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 123.122 2.548 . . . . 0.0 112.769 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.489 ' O ' HD11 ' A' ' 146' ' ' LEU . 3.0 pp -65.1 143.02 58.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.745 -177.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.461 ' HG3' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -87.15 162.84 17.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.417 176.621 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 -123.19 -14.72 7.44 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.064 -175.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -110.31 -22.95 11.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.163 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -64.16 133.19 52.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.193 0.52 . . . . 0.0 111.463 -177.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.521 ' O ' ' HA3' ' A' ' 75' ' ' GLY . 70.0 m80 -116.48 169.45 9.31 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 174.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -133.72 110.7 10.0 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.798 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . 0.562 ' HB3' ' O ' ' A' ' 73' ' ' GLU . 37.1 t-80 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.389 -0.815 . . . . 0.0 109.588 176.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.457 ' H3 ' ' CG ' ' A' ' 36' ' ' ASP . 24.9 ttt . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.878 0.371 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -108.18 126.04 52.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.232 174.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.453 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 14.0 t -157.26 169.52 24.58 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.477 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 78.3 p -104.0 152.52 39.09 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.012 -176.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.36 -28.54 86.99 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.78 2.32 . . . . 0.0 111.808 176.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.4 -49.42 76.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.755 177.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.49 HG22 HD11 ' A' ' 42' ' ' LEU . 35.9 mm -63.66 -42.91 97.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.336 178.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.1 mt -58.28 -44.97 88.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.325 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.654 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 8.7 t70 -66.5 -38.86 88.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.13 0.49 . . . . 0.0 110.226 -178.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -60.4 -37.77 81.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.277 175.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 7' ' ' ILE . 83.0 mt -63.85 -49.08 83.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.304 178.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.654 ' HG2' ' O ' ' A' ' 9' ' ' ASP . 4.9 ptm180 -62.33 -32.68 73.48 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.548 0.213 . . . . 0.0 111.116 -177.012 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 9' ' ' ASP . 97.6 t -67.83 -34.16 65.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.684 0.278 . . . . 0.0 110.686 178.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -63.36 -28.7 70.17 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.005 -177.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.524 ' HA3' HG23 ' A' ' 112' ' ' VAL . . . -65.71 -45.92 86.35 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.177 178.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.97 -30.62 62.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.296 0.57 . . . . 0.0 110.607 178.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -58.59 -38.58 78.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.52 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.44 20.08 11.93 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.707 -175.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.502 ' CE2' ' HA ' ' A' ' 114' ' ' ASP . 16.6 t80 -41.84 129.79 2.49 Favored Pre-proline 0 N--CA 1.476 0.847 0 C-N-CA 122.922 0.489 . . . . 0.0 112.003 -177.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -79.96 -21.24 18.05 Favored 'Cis proline' 0 C--N 1.347 0.478 0 C-N-CA 123.026 -1.656 . . . . 0.0 112.093 -0.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 178.31 134.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.37 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -118.59 2.23 11.73 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 172.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.531 ' HA3' ' O ' ' A' ' 45' ' ' ALA . . . 147.48 153.11 5.83 Favored Glycine 0 N--CA 1.437 -1.243 0 CA-C-N 113.924 -1.489 . . . . 0.0 110.583 -175.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.529 ' HB3' ' O ' ' A' ' 82' ' ' TYR . 82.1 m -93.23 -164.39 1.17 Allowed 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.51 ' HA3' ' CZ ' ' A' ' 82' ' ' TYR . . . -137.7 155.05 22.91 Favored Glycine 0 N--CA 1.441 -1.03 0 C-N-CA 120.039 -1.077 . . . . 0.0 111.969 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -107.81 148.23 29.81 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.975 -0.379 . . . . 0.0 109.975 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.3 mt -93.99 115.17 27.49 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.479 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.533 HD22 ' HB2' ' A' ' 71' ' ' ALA . 59.4 mt -103.76 132.62 49.85 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -178.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 178.24 -151.1 10.27 Favored Glycine 0 N--CA 1.441 -1.021 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.476 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 0.9 OUTLIER -136.8 158.42 44.48 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 120.879 0.371 . . . . 0.0 111.08 179.588 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.9 t -89.6 124.43 42.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 51.1 p -70.34 164.95 23.41 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.981 -176.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.94 -21.19 66.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.735 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -71.38 -34.27 70.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.332 176.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.22 -3.8 20.36 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.615 -176.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.457 ' CG ' ' H3 ' ' A' ' 1' ' ' MET . 19.4 t70 -88.19 153.53 21.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.888 0.375 . . . . 0.0 110.444 -178.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.439 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 78.7 m-20 -94.33 128.71 40.99 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.675 -175.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.476 ' HG2' ' O ' ' A' ' 30' ' ' THR . 33.4 ptt180 -114.8 143.24 45.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.288 0.565 . . . . 0.0 110.032 176.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.1 t -110.23 121.64 63.42 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.347 -174.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -115.05 -19.2 10.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.603 -178.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.507 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -148.49 166.73 27.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.932 0.396 . . . . 0.0 111.387 -177.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.49 HD11 HG22 ' A' ' 7' ' ' ILE . 97.6 mt -131.92 143.58 50.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.254 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.495 ' HB2' HD12 ' A' ' 28' ' ' LEU . 21.1 t60 -130.86 135.33 47.61 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 174.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 44' ' ' ARG . 21.3 ttt180 -86.84 135.91 33.16 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.594 -178.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.531 ' O ' ' HA3' ' A' ' 23' ' ' GLY . . . -92.04 85.55 5.55 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 173.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.419 ' HB ' ' HB3' ' A' ' 62' ' ' ASP . 4.6 m -84.99 124.4 31.65 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.193 -172.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 73.31 -38.36 0.41 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 114.698 -1.137 . . . . 0.0 111.914 175.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 48' ' ' ARG . 1.0 OUTLIER -107.91 93.77 4.71 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.112 0.482 . . . . 0.0 110.214 175.305 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.402 ' HG3' ' HA2' ' A' ' 23' ' ' GLY . 21.7 ttp180 -88.88 -37.99 14.9 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.208 -177.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.2 t -131.44 -49.01 0.98 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.176 -175.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.564 ' OE2' ' HB2' ' A' ' 53' ' ' ARG . 14.8 tp10 63.49 -85.53 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.466 -179.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 70.99 -36.96 0.38 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.962 0.905 . . . . 0.0 111.572 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.564 ' HB2' ' OE2' ' A' ' 51' ' ' GLU . 4.3 mmp_? -65.02 -71.38 0.19 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.431 -175.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.1 t -106.46 119.01 38.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.382 0.61 . . . . 0.0 111.598 -174.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -131.73 112.13 12.26 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 175.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 56' ' ' ARG . 5.1 ttt85 -130.85 28.03 4.87 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.383 -0.527 . . . . 0.0 111.586 -174.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 85.0 t80 74.03 -42.28 0.51 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.554 0.742 . . . . 0.0 112.385 175.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -65.11 161.8 18.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.701 0.286 . . . . 0.0 110.443 177.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.6 mp -70.79 99.19 1.68 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.6 p -85.52 95.19 9.22 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.047 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 63.58 -154.19 0.32 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.873 -173.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.419 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 35.7 t0 -94.01 71.73 4.02 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.392 0.615 . . . . 0.0 109.436 177.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -107.23 -160.97 0.76 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.734 -172.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -57.26 -40.76 78.34 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.937 177.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -60.57 -36.96 79.76 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 120.649 0.262 . . . . 0.0 111.275 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.42 -38.31 71.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.87 0.367 . . . . 0.0 110.587 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.94 -42.47 89.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.384 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.75 -41.68 87.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.031 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.629 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -60.64 -52.08 66.65 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.395 176.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.72 -33.56 75.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.765 0.317 . . . . 0.0 111.195 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.533 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -63.98 -52.35 60.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.635 178.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -66.21 -31.92 73.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.803 -0.181 . . . . 0.0 110.771 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.629 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 37.9 mt-10 -58.08 -40.23 80.54 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.203 0.525 . . . . 0.0 110.648 174.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -88.0 -2.14 58.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.702 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.78 18.71 62.98 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.658 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.1 mt -116.39 -173.81 2.44 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 -177.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -148.55 173.9 12.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.702 172.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.2 t -84.04 111.36 19.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.951 0.405 . . . . 0.0 110.29 -176.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.439 ' HB ' ' HB3' ' A' ' 37' ' ' ASN . 27.6 m -100.39 -1.76 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.5 -177.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.429 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . 173.86 -176.15 46.38 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.019 -1.086 . . . . 0.0 113.015 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 107' ' ' TYR . 4.0 t -140.73 158.29 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.531 ' HB3' ' HB ' ' A' ' 108' ' ' VAL . 42.4 p90 -132.65 137.94 47.16 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.084 175.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.406 ' HD2' ' SG ' ' A' ' 24' ' ' CYS . 40.8 m80 -112.92 149.66 32.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.323 -178.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.3 m -105.7 127.14 52.9 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 176.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -124.66 86.16 55.96 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -175.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.479 ' HA ' ' O ' ' A' ' 112' ' ' VAL . 5.8 Cg_exo -79.51 63.25 8.71 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.431 2.088 . . . . 0.0 109.579 167.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -156.06 -72.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.362 -169.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.447 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 57.4 m170 -115.03 144.19 31.6 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 175.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 88' ' ' HIS . 15.0 Cg_exo -68.88 95.96 0.5 Allowed 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.89 2.393 . . . . 0.0 113.86 -173.037 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.46 ' HB2' ' HB2' ' A' ' 111' ' ' SER . . . 61.79 25.05 15.02 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.473 -0.785 . . . . 0.0 113.042 168.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -131.07 152.58 80.9 Favored Pre-proline 0 C--N 1.32 -0.69 0 O-C-N 122.059 -0.401 . . . . 0.0 110.334 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -73.85 -175.28 2.04 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.886 2.391 . . . . 0.0 113.841 -174.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.0 m -150.28 -179.45 7.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.061 -0.972 . . . . 0.0 108.837 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.45 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -59.89 -48.62 80.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.588 0.232 . . . . 0.0 111.156 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.6 m -61.77 -35.23 77.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.049 0.452 . . . . 0.0 111.171 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -66.6 -41.37 88.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.546 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.2 -39.27 86.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.834 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 44.8 mt-10 -58.49 -27.24 64.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.19 178.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -93.27 -13.51 28.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.025 0.441 . . . . 0.0 110.608 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.81 57.88 4.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.137 -178.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.564 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 3.1 m -101.42 12.22 37.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.486 0.66 . . . . 0.0 109.979 177.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -109.67 88.05 6.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.241 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.564 ' HD3' ' O ' ' A' ' 101' ' ' THR . 17.3 Cg_exo -66.15 142.17 66.33 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.579 2.186 . . . . 0.0 111.762 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.2 -21.81 43.87 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.978 -0.63 . . . . 0.0 111.575 -178.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.429 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 17.5 m-85 -83.93 141.65 31.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.03 0.443 . . . . 0.0 110.529 179.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.0 m -95.84 126.78 41.34 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.884 177.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.415 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 90.0 m-85 -103.32 119.46 38.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.848 0.356 . . . . 0.0 110.512 -175.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.531 ' HB ' ' HB3' ' A' ' 82' ' ' TYR . 61.9 t -102.43 126.02 56.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-O 121.149 0.499 . . . . 0.0 110.372 178.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 75.8 mt -114.41 121.43 66.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.886 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.416 HG21 ' HA ' ' A' ' 12' ' ' ARG . 7.2 p -104.0 131.51 52.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.403 0.621 . . . . 0.0 110.792 -179.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.46 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 19.4 t -83.64 107.07 15.85 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.351 178.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.524 HG23 ' HA3' ' A' ' 15' ' ' GLY . 61.4 t -118.45 117.3 54.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -113.04 92.04 3.87 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.866 0.365 . . . . 0.0 110.457 -177.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.502 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 37.5 t70 49.48 65.64 1.34 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.812 176.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.442 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 87.93 -16.34 51.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.886 176.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -103.9 105.23 47.3 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 122.43 -0.453 . . . . 0.0 111.391 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.5 ' CB ' ' HB2' ' A' ' 12' ' ' ARG . 3.7 Cg_exo -77.01 104.87 1.98 Allowed 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.785 2.324 . . . . 0.0 111.153 175.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -70.49 -72.49 0.2 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.261 -175.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -148.81 158.57 44.25 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.984 -175.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.545 HD12 ' HB3' ' A' ' 12' ' ' ARG . 5.6 mp -109.34 133.09 53.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.571 176.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.417 ' OG1' ' HB3' ' A' ' 90' ' ' ALA . 17.5 p -127.77 140.79 51.84 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.901 178.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.55 144.0 38.44 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.129 0.49 . . . . 0.0 110.035 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -132.11 141.51 49.18 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.011 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.8 139.57 39.39 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.708 177.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.469 HD21 ' HA ' ' A' ' 103' ' ' PRO . 60.9 tp -80.77 131.25 35.4 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.037 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.92 138.18 93.85 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 176.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.04 -33.76 64.5 Favored 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 123.128 2.552 . . . . 0.0 113.126 -177.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.401 ' C ' ' HD2' ' A' ' 129' ' ' ARG . 8.1 t70 -85.79 6.31 28.57 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.996 0.427 . . . . 0.0 110.796 -178.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.401 ' HD2' ' C ' ' A' ' 128' ' ' ASP . 1.0 OUTLIER 61.46 26.97 16.63 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.604 -179.525 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 34.7 t -81.96 -47.75 12.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.677 -174.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -152.22 -175.48 5.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.128 0.49 . . . . 0.0 111.754 -172.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -105.5 147.45 28.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.726 174.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -124.03 147.96 47.42 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.919 0.39 . . . . 0.0 110.065 175.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 134' ' ' ARG . 9.3 tpt180 -70.3 135.09 48.59 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.804 -178.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -120.22 153.42 36.32 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.542 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -106.27 128.56 54.06 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.409 -178.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 137' ' ' ILE . 4.0 mp -83.68 114.95 25.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.101 0.477 . . . . 0.0 110.282 -175.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -109.54 154.95 10.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.381 -178.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -90.52 159.18 41.83 Favored Pre-proline 0 C--N 1.312 -1.038 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.736 175.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 3' ' ' THR . 39.1 Cg_exo -57.74 130.82 40.55 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 122.114 1.876 . . . . 0.0 110.52 171.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.59 128.88 10.75 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 123.738 0.648 . . . . 0.0 110.631 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -73.64 30.62 0.32 Allowed 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 123.547 2.831 . . . . 0.0 115.084 -164.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -115.36 -58.72 2.1 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.672 173.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . 53.59 76.3 0.54 Allowed Pre-proline 0 C--O 1.234 0.285 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.515 -174.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -56.95 144.93 87.55 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.918 2.412 . . . . 0.0 112.405 -176.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 80.1 mt -75.93 162.97 27.65 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.21 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -75.53 169.3 18.35 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 120.96 0.41 . . . . 0.0 110.868 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -62.8 147.18 50.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.497 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -66.04 121.23 14.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.042 0.449 . . . . 0.0 111.105 -175.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -121.29 128.32 52.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.898 179.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.37 98.05 6.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.748 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -175.91 130.91 0.25 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 176.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.774 -0.631 . . . . 0.0 110.465 178.704 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.44 ' HE3' HG21 ' A' ' 39' ' ' VAL . 24.8 ttt . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.826 0.346 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.518 ' HG2' ' HB3' ' A' ' 140' ' ' PRO . 13.7 mptt -112.0 137.49 49.95 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 176.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.9 t -158.45 173.62 16.35 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.119 -176.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.3 p -107.48 151.85 41.12 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.294 -178.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.533 ' HA ' HD13 ' A' ' 8' ' ' LEU . 16.9 Cg_endo -57.88 -33.15 96.66 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.482 2.788 . . . . 0.0 113.073 -178.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.412 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -59.63 -39.98 86.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.267 179.06 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.476 ' O ' HG13 ' A' ' 11' ' ' ILE . 51.0 mm -68.45 -41.54 83.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 176.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.533 HD13 ' HA ' ' A' ' 5' ' ' PRO . 79.0 mt -56.5 -46.73 80.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.078 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.516 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 11.0 t70 -66.41 -37.14 84.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.405 -177.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 46.5 mt-30 -61.27 -36.2 79.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.073 175.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 7' ' ' ILE . 75.6 mt -65.93 -49.84 74.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.068 178.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.516 ' HG2' ' HA ' ' A' ' 9' ' ' ASP . 2.0 ptm180 -64.52 -38.3 90.52 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.082 -178.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.1 t -69.05 -45.97 79.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.661 0.267 . . . . 0.0 110.51 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -65.25 -32.75 74.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.828 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.79 -46.61 91.38 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.991 177.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.07 -27.52 63.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.849 0.357 . . . . 0.0 111.034 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -73.8 -39.22 64.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.306 -177.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.4 -35.84 53.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.969 -176.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.444 ' HA ' ' O ' ' A' ' 21' ' ' GLU . 3.8 m-85 -65.71 162.13 46.68 Favored Pre-proline 0 C--N 1.33 -0.269 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -174.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.87 -8.98 9.13 Favored 'Cis proline' 0 C--N 1.354 0.823 0 C-N-CA 124.1 -1.208 . . . . 0.0 114.632 5.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.444 ' O ' ' HA ' ' A' ' 19' ' ' TYR . 41.9 mt-10 -75.62 157.58 33.58 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 176.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -92.35 133.59 35.72 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.073 0.463 . . . . 0.0 110.982 -177.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.54 -63.29 1.23 Allowed Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 176.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 44' ' ' ARG . 63.2 m 62.68 176.38 0.14 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.179 0.514 . . . . 0.0 112.032 175.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.404 ' HA3' ' O ' ' A' ' 43' ' ' HIS . . . 145.12 -164.82 27.88 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.262 177.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.415 ' HA ' ' HA ' ' A' ' 81' ' ' VAL . 96.0 m-85 -108.73 160.49 15.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.058 0.456 . . . . 0.0 111.158 -177.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.6 mt -104.03 127.42 51.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.599 176.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.543 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 72.3 mt -108.0 145.27 34.14 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.896 0.379 . . . . 0.0 110.521 -176.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.441 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . 176.93 -153.35 13.66 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.699 179.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.2 p -121.28 152.31 39.05 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.716 0.293 . . . . 0.0 110.727 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.0 t -92.78 134.27 31.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.031 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.473 ' C ' ' H ' ' A' ' 34' ' ' ASP . 8.1 t -115.82 140.08 49.57 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 178.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.445 ' HB3' ' O ' ' A' ' 32' ' ' THR . 28.7 t70 72.79 -12.34 0.77 Allowed 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.508 0.505 . . . . 0.0 111.159 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.473 ' H ' ' C ' ' A' ' 32' ' ' THR . 20.2 t70 75.48 12.73 3.13 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.9 -172.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -125.71 -44.75 0.25 Allowed Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.145 -0.934 . . . . 0.0 112.772 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -102.24 172.21 7.03 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -177.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.757 ' HB2' ' HB ' ' A' ' 79' ' ' VAL . 8.3 p30 -128.98 142.24 50.99 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.16 0.505 . . . . 0.0 111.541 -174.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.459 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 37.9 ttt180 -115.87 105.89 13.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.624 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.44 HG21 ' HE3' ' A' ' 1' ' ' MET . 49.0 t -84.49 122.62 38.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.681 -176.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -134.62 2.95 3.24 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -176.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.543 ' HB1' ' HB2' ' A' ' 28' ' ' LEU . . . -154.07 150.14 27.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.775 0.322 . . . . 0.0 111.307 179.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.3 mt -109.19 157.02 19.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.178 0.513 . . . . 0.0 111.404 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.404 ' O ' ' HA3' ' A' ' 25' ' ' GLY . 73.6 t60 -141.21 135.69 30.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.665 174.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 15.9 ptt180 -107.23 140.35 40.25 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 178.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.407 ' HA ' ' OD1' ' A' ' 63' ' ' ASP . . . -49.93 100.02 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 O-C-N 123.75 0.656 . . . . 0.0 111.78 -179.001 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 83.1 m -164.3 136.16 4.64 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.49 -0.929 . . . . 0.0 108.49 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.606 ' CB ' ' HB3' ' A' ' 62' ' ' ASP . 22.3 p-10 -105.99 125.29 50.82 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.494 0.664 . . . . 0.0 111.548 -175.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.413 ' HG2' ' HB3' ' A' ' 66' ' ' ALA . 12.0 ptm180 -104.72 63.26 0.72 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.925 175.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -82.87 97.89 8.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.684 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.5 t -125.47 -36.03 2.51 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.243 0.544 . . . . 0.0 110.633 -178.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.5 139.44 32.59 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.092 -178.022 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -92.36 83.09 4.95 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -122.23 121.21 36.27 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.306 -177.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.2 p -98.25 146.05 26.03 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.669 178.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -107.81 -79.01 0.58 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -135.83 -84.02 0.38 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.796 0.332 . . . . 0.0 110.139 169.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -111.41 1.8 17.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.651 0.739 . . . . 0.0 109.783 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -70.96 90.72 0.83 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.167 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.15 32.66 4.47 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 175.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.8 t -141.09 159.72 41.6 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.01 -174.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 61.73 83.28 0.15 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.425 0.631 . . . . 0.0 112.1 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.606 ' HB3' ' CB ' ' A' ' 47' ' ' ASN . 0.5 OUTLIER -59.56 -42.48 92.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.495 179.393 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.407 ' OD1' ' HA ' ' A' ' 45' ' ' ALA . 36.3 t70 -66.97 -34.01 76.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.293 -177.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -60.1 -45.97 91.17 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 120.882 0.372 . . . . 0.0 110.062 178.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -61.11 -39.32 89.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.898 177.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.413 ' HB3' ' HG2' ' A' ' 48' ' ' ARG . . . -68.68 -37.55 79.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.045 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.08 -42.74 84.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.314 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.463 ' O ' ' HG2' ' A' ' 72' ' ' GLN . 33.6 t70 -69.36 -40.15 77.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.648 -178.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.516 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -60.4 -53.68 54.72 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.949 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.13 -32.47 74.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.97 0.414 . . . . 0.0 110.401 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.478 ' HB3' HD23 ' A' ' 28' ' ' LEU . . . -62.86 -52.26 63.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.81 177.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 10.2 pt20 -66.89 -32.35 73.56 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.881 -178.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 73.9 mt-10 -59.97 -39.97 87.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.257 0.551 . . . . 0.0 110.941 173.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -87.61 -0.24 56.58 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.894 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.89 29.81 64.5 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.251 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.5 mt -126.32 -177.25 3.91 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -178.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -142.23 175.88 9.41 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 173.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.3 t -81.3 111.84 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.131 -178.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.757 ' HB ' ' HB2' ' A' ' 37' ' ' ASN . 29.3 m -106.1 -13.01 9.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.67 -176.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -165.12 -178.74 38.59 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.185 -1.007 . . . . 0.0 112.719 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.415 ' HA ' ' HA ' ' A' ' 26' ' ' PHE . 2.9 t -139.67 157.04 26.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -139.4 136.2 34.45 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.468 0.651 . . . . 0.0 110.849 174.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -144.8 131.78 20.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.007 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.6 p -105.49 154.38 20.44 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.108 0.48 . . . . 0.0 111.271 -174.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 49.3 m80 -114.8 143.34 29.87 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 175.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 8.3 Cg_exo -72.91 84.27 1.3 Allowed 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.603 2.202 . . . . 0.0 111.581 177.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.461 ' CG ' ' HE ' ' A' ' 113' ' ' ARG . 48.3 t0 59.89 90.4 0.06 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.705 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.542 ' HB3' ' HD2' ' A' ' 89' ' ' PRO . 4.9 m170 -155.93 166.54 16.15 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.351 -0.841 . . . . 0.0 108.928 178.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.542 ' HD2' ' HB3' ' A' ' 88' ' ' HIS . 24.2 Cg_endo -61.31 5.35 0.18 Allowed 'Trans proline' 0 N--CA 1.486 1.048 0 C-N-CA 123.278 2.652 . . . . 0.0 115.257 -172.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 70.44 -5.67 1.33 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.736 0.814 . . . . 0.0 113.09 173.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.03 145.65 30.2 Favored Pre-proline 0 C--N 1.312 -1.032 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 174.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_exo -61.18 135.61 59.49 Favored 'Trans proline' 0 C--O 1.236 0.4 0 C-N-CA 122.787 2.324 . . . . 0.0 112.725 -176.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.2 m -86.17 179.44 6.94 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 173.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.676 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -58.38 -47.95 82.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.664 0.268 . . . . 0.0 110.838 179.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.495 ' HA ' ' OE1' ' A' ' 98' ' ' GLU . 87.4 m -65.85 -33.05 74.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.808 -178.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -59.82 -41.47 91.38 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.14 0.495 . . . . 0.0 110.051 176.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.9 tt -69.3 -39.04 78.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.963 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.676 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 55.8 mt-10 -59.94 -40.05 87.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.933 -177.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 95' ' ' THR . 14.9 pt-20 -91.63 -10.48 40.24 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.368 -179.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.92 91.37 6.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.095 0.474 . . . . 0.0 110.11 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.9 m -119.99 26.8 9.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.398 0.618 . . . . 0.0 110.307 -177.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.593 ' HB2' ' HH ' ' A' ' 107' ' ' TYR . 90.4 m-85 -113.19 86.92 10.09 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.674 -178.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -71.8 143.05 40.57 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.562 2.175 . . . . 0.0 112.236 -178.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.76 -19.91 52.47 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.996 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -91.88 143.72 26.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.873 0.368 . . . . 0.0 110.478 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 36.6 m -92.73 126.58 37.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.011 176.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.593 ' HH ' ' HB2' ' A' ' 102' ' ' PHE . 96.6 m-85 -96.66 114.82 26.5 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.616 -178.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 67.8 t -97.76 116.61 40.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 121.232 0.539 . . . . 0.0 109.987 174.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.1 mt -110.61 125.27 67.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.778 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.678 ' HB ' HD21 ' A' ' 120' ' ' LEU . 5.1 p -117.39 139.93 42.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.322 178.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.0 t -95.66 106.75 18.88 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.383 176.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.465 ' HA ' ' HA ' ' A' ' 117' ' ' PRO . 22.7 t -108.41 116.59 52.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.09 0.471 . . . . 0.0 109.813 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.461 ' HE ' ' CG ' ' A' ' 87' ' ' ASP . 43.0 ttm180 -94.11 88.43 5.64 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.459 -176.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 37.9 t70 64.5 11.85 6.93 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.937 174.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.47 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 137.27 -22.65 3.21 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.911 -178.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -99.85 105.87 37.34 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.648 0.261 . . . . 0.0 111.339 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.47 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 5.7 Cg_exo -74.46 113.97 3.92 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.933 2.422 . . . . 0.0 111.323 176.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -88.9 -68.16 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.172 -177.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -110.87 129.7 55.79 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.979 -174.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.678 HD21 ' HB ' ' A' ' 110' ' ' VAL . 15.5 mt -104.94 121.2 43.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.424 171.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 20.0 p -132.27 135.15 46.04 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.687 0.279 . . . . 0.0 110.643 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.92 142.19 41.6 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -134.64 137.69 43.86 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.921 -174.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.68 126.85 52.16 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.941 176.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 64.7 tp -84.68 119.36 25.16 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.75 143.79 98.78 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.814 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo -58.21 -24.74 68.64 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.491 2.127 . . . . 0.0 111.23 176.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -68.73 -22.91 64.3 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.374 176.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 52.12 35.56 16.8 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 114.842 -1.072 . . . . 0.0 112.798 176.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 64.3 m -97.17 -12.35 23.16 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 121.791 -0.568 . . . . 0.0 110.527 173.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -171.75 172.9 4.75 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.452 0.644 . . . . 0.0 110.957 -177.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -106.3 156.48 18.45 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.877 -1.056 . . . . 0.0 108.317 173.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -122.68 140.45 52.84 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 120.944 0.402 . . . . 0.0 109.975 178.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -62.59 136.6 57.97 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.301 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -131.72 156.95 45.02 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.79 -1.096 . . . . 0.0 108.18 177.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -126.26 163.3 23.5 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.084 0.469 . . . . 0.0 110.194 178.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.459 HG22 HD11 ' A' ' 8' ' ' LEU . 50.4 mm -84.03 114.73 25.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 2.4 m -121.12 134.26 65.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -175.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 34.3 mtm-85 -93.1 104.79 12.87 Favored Pre-proline 0 C--N 1.319 -0.742 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 170.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.518 ' HB3' ' HG2' ' A' ' 2' ' ' LYS . 61.6 Cg_endo -71.23 154.88 61.53 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 123.071 2.514 . . . . 0.0 114.607 -165.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -93.1 111.1 50.19 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.326 -0.852 . . . . 0.0 108.756 170.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -62.88 133.52 42.11 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 122.857 2.371 . . . . 0.0 112.914 -173.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.425 ' O ' ' HD3' ' A' ' 145' ' ' PRO . 0.2 OUTLIER 55.3 40.38 31.52 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 113.721 -1.581 . . . . 0.0 113.644 174.513 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.43 ' HA ' ' HD3' ' A' ' 145' ' ' PRO . . . -87.3 102.32 3.12 Favored Pre-proline 0 C--N 1.315 -0.898 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.001 167.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 144' ' ' ALA . 10.6 Cg_exo -69.6 138.2 37.75 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.962 2.442 . . . . 0.0 113.184 -171.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 94.0 mt -105.34 -52.77 2.77 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.275 174.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -117.9 81.32 1.65 Allowed 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 121.602 0.715 . . . . 0.0 110.298 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -97.71 -10.3 25.2 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.386 -0.824 . . . . 0.0 108.992 176.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . 0.437 ' O ' ' HB3' ' A' ' 150' ' ' HIS . 23.6 t-80 -120.22 134.68 55.2 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.988 178.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.437 ' HB3' ' O ' ' A' ' 149' ' ' HIS . 19.3 t-80 70.32 81.09 0.17 Allowed 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.629 0.728 . . . . 0.0 110.095 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -99.22 168.99 9.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.316 -173.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -100.18 157.94 16.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.242 -0.89 . . . . 0.0 108.716 167.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 . . . . . 0 C--N 1.317 -0.839 0 CA-C-O 118.418 -0.801 . . . . 0.0 110.42 -179.476 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.466 ' HB2' HG23 ' A' ' 106' ' ' THR . 24.9 ttt . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 120.663 0.268 . . . . 0.0 111.296 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 138' ' ' VAL . 13.8 mptt -110.19 124.42 51.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.718 176.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.455 ' O ' ' HA ' ' A' ' 139' ' ' ARG . 10.1 t -159.52 173.75 15.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.476 175.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.6 p -96.06 153.88 39.03 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-O 121.049 0.452 . . . . 0.0 111.287 -177.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.425 ' HA ' HD12 ' A' ' 8' ' ' LEU . 14.1 Cg_endo -58.36 -26.59 78.05 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.021 2.481 . . . . 0.0 111.971 175.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -59.7 -48.93 79.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.272 176.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.612 ' O ' HG13 ' A' ' 11' ' ' ILE . 39.8 mm -61.88 -42.92 96.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.179 176.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.611 HD21 HG21 ' A' ' 137' ' ' ILE . 91.7 mt -56.32 -40.91 75.15 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.531 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.532 ' HA ' ' NH1' ' A' ' 12' ' ' ARG . 13.9 t70 -66.7 -44.04 82.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.06 0.457 . . . . 0.0 109.825 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -63.9 -30.9 71.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.58 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.612 HG13 ' O ' ' A' ' 7' ' ' ILE . 73.2 mt -61.63 -40.85 88.12 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-O 120.81 0.338 . . . . 0.0 110.323 176.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.532 ' NH1' ' HA ' ' A' ' 9' ' ' ASP . 55.0 mtm-85 -65.64 -39.76 91.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 0.0 110.149 177.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.6 t -56.35 -38.63 56.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.41 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -31.9 63.47 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 177.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.4 -50.19 69.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.892 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.27 -42.73 54.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.851 0.358 . . . . 0.0 111.319 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.68 -38.8 92.22 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.869 -173.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.635 ' HB1' ' HG2' ' A' ' 22' ' ' GLU . . . -82.7 -33.01 27.74 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.491 -174.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.405 ' HE2' ' HA ' ' A' ' 114' ' ' ASP . 0.8 OUTLIER -52.58 139.12 40.04 Favored Pre-proline 0 C--N 1.332 -0.178 0 O-C-N 123.317 0.385 . . . . 0.0 110.837 -175.642 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -90.59 -2.88 56.88 Favored 'Cis proline' 0 CA--C 1.535 0.544 0 C-N-CA 123.729 -1.363 . . . . 0.0 114.292 3.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -80.63 176.55 9.7 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -173.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.635 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 0.3 OUTLIER 47.33 -154.34 0.07 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.424 1.089 . . . . 0.0 111.54 -175.128 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.81 -38.71 1.26 Allowed Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 -176.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.0 p -110.68 166.44 11.01 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 174.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 172.11 178.45 42.35 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.344 -0.931 . . . . 0.0 112.016 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -109.8 149.85 29.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.048 0.451 . . . . 0.0 111.178 -175.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 73.6 mt -98.98 124.99 44.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.523 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.513 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 85.6 mt -104.69 133.09 50.12 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.097 0.475 . . . . 0.0 110.563 -177.082 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -179.84 -152.43 10.8 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.086 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.9 p -136.14 160.37 38.88 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.401 HG13 ' HA ' ' A' ' 34' ' ' ASP . 43.7 t -88.42 106.33 16.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 173.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.405 ' C ' ' H ' ' A' ' 34' ' ' ASP . 6.4 t -77.29 121.59 23.92 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.158 -171.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.485 ' O ' ' HB3' ' A' ' 34' ' ' ASP . 6.1 t70 63.89 -0.15 0.84 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 114.214 -1.357 . . . . 0.0 111.93 177.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.485 ' HB3' ' O ' ' A' ' 33' ' ' ASP . 31.9 t70 73.6 19.58 3.27 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 122.15 0.976 . . . . 0.0 109.334 -175.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -105.11 -24.82 7.02 Favored Glycine 0 CA--C 1.521 0.414 0 CA-C-N 115.108 -0.951 . . . . 0.0 113.245 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -170.13 170.98 7.13 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -88.75 130.31 35.37 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.202 0.525 . . . . 0.0 111.053 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -107.67 106.38 16.68 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.719 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.9 t -94.5 116.66 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.141 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -117.35 -20.16 9.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.718 -176.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.513 ' HB1' ' HB2' ' A' ' 28' ' ' LEU . . . -132.65 142.21 48.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.967 0.413 . . . . 0.0 111.151 -178.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.4 mt -107.65 134.74 50.2 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.588 178.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -119.02 120.64 37.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.804 0.335 . . . . 0.0 110.274 176.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.564 ' HA ' ' OH ' ' A' ' 82' ' ' TYR . 76.5 mtt180 -82.71 134.99 35.13 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.723 -0.844 . . . . 0.0 108.723 177.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.98 100.32 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.088 0.47 . . . . 0.0 110.59 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.28 105.2 4.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.905 -177.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -86.22 137.35 32.7 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.514 -174.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -129.05 110.56 12.15 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 173.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.37 112.61 13.05 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.676 0.75 . . . . 0.0 111.297 -178.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.7 m -111.91 85.47 2.15 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-N 115.165 -0.925 . . . . 0.0 108.609 171.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.691 ' HG3' HD11 ' A' ' 59' ' ' LEU . 1.6 mp0 -48.0 105.22 0.07 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.175 -176.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -76.98 142.61 39.91 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.383 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -76.1 -26.6 56.59 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.148 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.5 p -85.52 146.39 26.94 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.823 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 68.45 -171.76 0.18 Allowed 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.717 0.635 . . . . 0.0 111.157 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' A' ' 57' ' ' TYR . 14.7 ttm180 -145.37 148.39 33.31 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.428 ' HB2' ' O ' ' A' ' 56' ' ' ARG . 75.8 m-85 73.05 -43.23 0.56 Allowed 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.234 0.614 . . . . 0.0 111.51 -176.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -76.49 76.8 3.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.138 0.494 . . . . 0.0 111.695 177.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.691 HD11 ' HG3' ' A' ' 51' ' ' GLU . 35.1 mt -79.17 -32.73 44.29 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 169.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 12.7 t -166.08 164.14 18.11 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 113.835 -1.53 . . . . 0.0 107.634 172.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.523 ' HB3' ' HG3' ' A' ' 65' ' ' ARG . . . -117.71 95.54 4.98 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 121.07 -0.252 . . . . 0.0 110.414 -176.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 t0 56.41 -161.61 0.19 Allowed 'General case' 0 CA--C 1.532 0.287 0 O-C-N 123.902 0.752 . . . . 0.0 110.137 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -79.92 -7.44 58.76 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 170.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -54.9 -50.8 67.87 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.413 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.523 ' HG3' ' HB3' ' A' ' 61' ' ' ALA . 35.4 mtt180 -60.52 -36.21 77.83 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -176.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.48 -41.38 80.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.961 0.41 . . . . 0.0 110.457 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.16 -40.56 86.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.923 174.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.05 -45.09 96.17 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.267 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.11 -51.24 67.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.018 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.12 -33.27 75.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.338 -178.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.466 ' HB2' HD21 ' A' ' 28' ' ' LEU . . . -62.0 -51.32 68.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.307 176.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -59.94 -44.23 94.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.771 179.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.42 -43.43 83.8 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 177.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -83.68 -4.59 58.73 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.128 -178.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.21 32.76 59.9 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.882 -177.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.2 mt -125.94 -179.75 4.84 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -143.87 177.49 8.5 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 174.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.8 t -81.18 110.43 16.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.892 0.377 . . . . 0.0 110.364 -176.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.5 m -111.64 -1.46 9.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.708 -176.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.497 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -174.76 -179.96 45.68 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 119.755 -1.212 . . . . 0.0 113.334 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 107' ' ' TYR . 3.8 t -138.67 153.86 26.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.564 ' OH ' ' HA ' ' A' ' 44' ' ' ARG . 11.7 p90 -127.57 152.67 47.33 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.787 177.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -134.31 126.51 29.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.545 176.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.1 m -105.75 126.1 51.77 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 66.3 m170 -100.65 142.69 25.11 Favored Pre-proline 0 C--N 1.322 -0.609 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.305 -178.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -82.1 98.31 0.94 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 122.727 2.284 . . . . 0.0 110.256 171.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.425 ' CG ' ' H ' ' A' ' 88' ' ' HIS . 44.8 t0 70.29 -170.69 0.17 Allowed 'General case' 0 C--O 1.237 0.427 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -176.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.425 ' H ' ' CG ' ' A' ' 87' ' ' ASP . 32.7 m170 67.93 160.86 0.14 Allowed Pre-proline 0 N--CA 1.472 0.657 0 C-N-CA 123.447 0.699 . . . . 0.0 111.829 178.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -57.67 154.88 34.5 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 123.186 2.591 . . . . 0.0 113.329 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -83.25 37.33 0.55 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.752 -176.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.498 ' NH1' ' HA ' ' A' ' 93' ' ' SER . 7.7 ppt_? -113.79 151.98 45.17 Favored Pre-proline 0 C--N 1.322 -0.587 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -61.79 132.36 39.59 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.802 2.335 . . . . 0.0 112.692 -177.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.498 ' HA ' ' NH1' ' A' ' 91' ' ' ARG . 12.6 t -95.3 -170.77 2.24 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 176.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.1 -47.45 74.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.922 0.392 . . . . 0.0 111.175 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.7 m -67.44 -39.87 85.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.528 -177.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -61.43 -42.27 98.49 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.054 0.454 . . . . 0.0 110.062 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.65 -44.09 74.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.973 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -68.64 -33.13 73.49 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.502 -176.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -94.9 8.1 43.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.022 0.439 . . . . 0.0 111.302 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.03 61.55 6.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.358 0.599 . . . . 0.0 110.266 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.658 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 6.1 t -95.85 8.26 44.07 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.817 -175.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.464 ' HB3' ' CD1' ' A' ' 105' ' ' PHE . 76.4 m-85 -104.64 87.13 1.64 Allowed Pre-proline 0 C--N 1.317 -0.839 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.33 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.658 ' HD3' ' O ' ' A' ' 101' ' ' THR . 4.0 Cg_exo -76.08 123.86 7.56 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.64 2.227 . . . . 0.0 111.917 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 109.4 -7.82 32.44 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.809 -179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.497 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 33.8 m-85 -93.72 151.19 19.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.704 0.288 . . . . 0.0 110.497 178.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.466 HG23 ' HB2' ' A' ' 1' ' ' MET . 25.2 m -92.38 126.78 37.61 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.3 178.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 88.9 m-85 -102.99 115.35 30.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.054 -177.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 99.8 t -101.7 125.9 55.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 174.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 68.6 mt -120.11 129.73 75.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.203 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.75 ' HB ' ' HB3' ' A' ' 120' ' ' LEU . 3.3 p -130.67 132.03 64.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-O 121.301 0.572 . . . . 0.0 110.705 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.6 m -84.24 111.66 19.58 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.812 177.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.3 t -111.61 115.97 51.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 176.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.35 86.21 2.78 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -176.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.405 ' HA ' ' HE2' ' A' ' 19' ' ' TYR . 38.6 t70 54.32 62.88 2.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.673 -179.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.01 -35.64 4.01 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.786 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -86.25 111.29 37.71 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.75 0.31 . . . . 0.0 111.724 -176.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -84.32 110.94 1.53 Allowed 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 123.267 2.644 . . . . 0.0 111.511 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -77.23 -76.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -176.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -139.12 141.54 38.09 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.029 -175.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.75 ' HB3' ' HB ' ' A' ' 110' ' ' VAL . 2.4 pp -119.42 152.71 36.39 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.912 172.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.469 HG22 ' NE ' ' A' ' 134' ' ' ARG . 5.1 m -149.44 161.88 41.23 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 176.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -108.95 138.67 44.93 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.406 ' CZ3' ' HB2' ' A' ' 134' ' ' ARG . 78.4 m95 -123.18 140.13 53.34 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.845 -175.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.45 128.06 52.27 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.452 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.692 HD23 ' HG2' ' A' ' 129' ' ' ARG . 57.5 tp -80.97 135.79 35.92 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.128 -178.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.09 149.66 85.89 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 174.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -37.27 -57.81 0.65 Allowed 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 123.797 2.998 . . . . 0.0 114.432 -175.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -102.4 31.08 4.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.083 0.468 . . . . 0.0 110.895 -176.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.692 ' HG2' HD23 ' A' ' 125' ' ' LEU . 55.5 mtm180 66.35 18.32 10.86 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.406 176.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 11.7 m -65.77 -29.3 69.78 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -173.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -169.61 179.74 3.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.614 0.245 . . . . 0.0 110.778 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -116.05 153.62 31.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.639 175.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -127.7 147.02 50.38 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 172.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.469 ' NE ' HG22 ' A' ' 121' ' ' THR . 46.6 ttt180 -95.57 146.07 24.74 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.991 0.424 . . . . 0.0 111.33 -174.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -140.66 153.53 46.04 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.955 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -96.92 154.01 17.55 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 173.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.611 HG21 HD21 ' A' ' 8' ' ' LEU . 3.4 mp -83.52 122.0 37.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.096 0.474 . . . . 0.0 110.437 -174.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 3.7 m -109.68 154.17 11.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.803 178.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.455 ' HA ' ' O ' ' A' ' 3' ' ' THR . 44.9 mtm180 -78.45 158.55 76.22 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.818 179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -72.85 99.01 1.03 Allowed 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.835 1.69 . . . . 0.0 111.576 174.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -97.14 107.34 37.44 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.898 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -83.24 30.69 0.53 Allowed 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 123.051 2.501 . . . . 0.0 111.485 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -118.46 0.3 11.58 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.788 -175.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.427 ' HA ' ' HD3' ' A' ' 145' ' ' PRO . . . -77.33 132.22 70.28 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.828 179.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 144' ' ' ALA . 20.1 Cg_exo -66.51 162.54 36.3 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.716 2.278 . . . . 0.0 112.132 176.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 96.0 mt -55.65 143.46 30.21 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.749 -178.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.15 152.39 32.79 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.171 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -163.15 27.73 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.496 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -77.54 88.44 3.86 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 178.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -87.77 -55.38 3.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.309 177.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 84.5 t60 57.07 80.68 0.15 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.898 -177.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -102.89 -20.98 14.07 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 23.1 p80 . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.25 -0.881 . . . . 0.0 109.26 176.133 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.661 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 24.0 ttt . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 120.733 0.302 . . . . 0.0 111.301 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.541 ' HA ' ' O ' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -113.71 134.41 54.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.88 176.51 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.5 t -157.6 144.88 18.4 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.817 0.341 . . . . 0.0 110.726 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.55 ' HB ' ' OD1' ' A' ' 6' ' ' ASP . 0.7 OUTLIER -74.51 151.2 87.26 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.031 -175.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -62.32 -31.32 81.73 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.919 2.412 . . . . 0.0 112.361 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.55 ' OD1' ' HB ' ' A' ' 4' ' ' THR . 5.7 p-10 -66.77 -32.88 74.47 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.621 178.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.543 ' O ' HG13 ' A' ' 11' ' ' ILE . 46.3 mm -67.94 -44.69 84.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 174.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.8 mt -58.95 -38.17 78.44 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.807 177.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.48 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 32.3 t70 -63.7 -47.16 82.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.28 0.562 . . . . 0.0 110.496 176.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.431 ' NE2' HD12 ' A' ' 7' ' ' ILE . 47.8 mt-30 -60.37 -31.36 70.27 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.18 176.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 7' ' ' ILE . 78.5 mt -68.03 -49.07 71.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.158 177.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 9' ' ' ASP . 16.3 ptt180 -64.32 -36.72 85.05 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.634 0.254 . . . . 0.0 110.772 -178.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.6 t -69.13 -39.19 79.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.993 0.425 . . . . 0.0 109.89 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.661 ' HE1' ' HD3' ' A' ' 44' ' ' ARG . 80.9 t60 -59.09 -28.92 66.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.404 178.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.42 -47.51 90.77 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.483 -0.865 . . . . 0.0 111.966 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.8 -36.95 62.48 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.198 0.523 . . . . 0.0 110.959 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -67.09 -39.6 86.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.174 -174.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.55 -38.7 59.05 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.733 -177.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -71.31 159.22 86.19 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.358 -175.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -73.17 -4.2 14.96 Favored 'Cis proline' 0 N--CA 1.477 0.512 0 C-N-CA 124.029 -1.238 . . . . 0.0 114.195 4.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -67.66 157.31 34.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.159 0.504 . . . . 0.0 111.291 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -71.2 98.38 1.7 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.853 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.89 52.7 4.64 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.07 -0.586 . . . . 0.0 113.21 -175.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.6 p -68.49 153.69 43.27 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 120.957 0.408 . . . . 0.0 111.373 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -175.39 175.96 47.26 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.58 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -124.24 160.84 27.06 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.747 0.308 . . . . 0.0 110.457 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.4 mt -94.29 112.06 23.84 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.557 178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.47 HD22 ' HB2' ' A' ' 71' ' ' ALA . 51.0 mt -104.72 132.38 51.03 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.136 0.493 . . . . 0.0 110.424 -177.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.538 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . -173.23 -146.31 5.42 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.493 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.5 p -129.95 159.57 36.24 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.808 0.337 . . . . 0.0 110.778 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.1 t -88.04 106.22 16.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 175.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.588 ' HB ' ' HE ' ' A' ' 38' ' ' ARG . 3.3 t -99.04 152.35 19.92 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.475 -1.239 . . . . 0.0 110.035 -173.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.467 ' HA ' ' HA ' ' A' ' 146' ' ' LEU . 4.2 m-20 67.95 -0.75 1.94 Allowed 'General case' 0 N--CA 1.462 0.159 0 O-C-N 123.69 0.619 . . . . 0.0 110.433 179.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.831 ' HB3' ' HB2' ' A' ' 147' ' ' GLU . 8.0 t70 51.95 61.99 2.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.657 -1.156 . . . . 0.0 109.623 -170.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.47 -31.82 0.16 Allowed Glycine 0 N--CA 1.444 -0.819 0 CA-C-N 114.341 -1.3 . . . . 0.0 111.962 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -107.03 178.2 4.63 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.824 ' HB2' ' HB ' ' A' ' 79' ' ' VAL . 20.9 p-10 -136.9 128.16 28.07 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.056 0.455 . . . . 0.0 111.15 -173.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.588 ' HE ' ' HB ' ' A' ' 32' ' ' THR . 9.8 ptp180 -115.79 145.42 42.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.288 0.566 . . . . 0.0 110.7 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.6 t -101.66 117.85 47.58 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.02 -177.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -107.58 -24.81 11.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.468 -176.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -152.61 153.77 34.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.225 0.536 . . . . 0.0 111.295 -176.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.7 mt -117.0 149.51 40.14 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.311 176.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -144.86 134.74 23.71 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 177.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.661 ' HD3' ' HE1' ' A' ' 14' ' ' HIS . 7.9 mmm180 -72.89 135.87 45.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.218 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.46 ' HB3' ' OD1' ' A' ' 63' ' ' ASP . . . -98.69 -166.44 1.36 Allowed 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.021 172.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.6 t -120.91 174.47 6.59 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 176.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -76.58 89.9 3.33 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 171.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.402 ' H ' ' HG3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -44.84 126.45 5.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.884 -1.053 . . . . 0.0 113.425 -172.586 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.416 ' HD3' ' N ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -119.89 48.67 1.5 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.739 -1.119 . . . . 0.0 108.618 177.39 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.6 p -67.34 -4.09 9.94 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 114.691 -1.141 . . . . 0.0 113.271 -171.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.404 ' HG2' ' H ' ' A' ' 52' ' ' GLN . 6.0 tt0 66.98 -164.28 0.22 Allowed 'General case' 0 CA--C 1.535 0.398 0 O-C-N 123.145 0.278 . . . . 0.0 110.524 175.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.404 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 1.0 OUTLIER -68.94 131.8 45.68 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.136 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -79.87 93.79 5.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.805 -175.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.401 HG21 ' H ' ' A' ' 57' ' ' TYR . 25.3 m -76.26 133.36 40.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.902 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -86.13 -41.73 14.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.393 -177.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.2 mtt85 -97.18 -12.03 23.55 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -170.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.401 ' H ' HG21 ' A' ' 54' ' ' THR . 4.2 t80 -121.86 128.52 51.72 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.139 -0.624 . . . . 0.0 110.901 -176.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -85.72 129.13 34.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.749 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -121.59 -169.0 1.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 174.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.5 t -78.94 136.29 37.21 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 175.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.45 109.04 19.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.891 0.377 . . . . 0.0 110.979 -177.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.414 ' CG ' ' HE ' ' A' ' 49' ' ' ARG . 27.9 t70 -87.54 151.33 23.09 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.06 -177.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.46 ' OD1' ' HB3' ' A' ' 45' ' ' ALA . 36.2 t70 68.31 -74.82 0.07 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.96 0.904 . . . . 0.0 112.781 176.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -52.18 -45.35 65.11 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -173.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -53.55 -34.16 57.28 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -178.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.73 -47.52 75.03 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.536 -178.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.75 -35.8 75.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.231 0.539 . . . . 0.0 109.989 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -62.84 -48.59 78.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.019 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.453 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -69.25 -49.84 52.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.099 -177.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.68 -34.48 69.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.119 -177.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.47 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -63.05 -52.18 63.78 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.211 177.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -64.66 -35.23 80.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.85 -178.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 54.8 mt-10 -60.85 -38.25 84.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.43 0.633 . . . . 0.0 110.888 176.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -90.01 5.78 45.09 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.963 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.98 16.89 79.28 Favored Glycine 0 C--N 1.329 0.192 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.647 178.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 67.1 mt -114.1 -176.83 2.99 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -150.15 170.75 18.19 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 173.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.8 t -77.32 108.26 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.91 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.824 ' HB ' ' HB2' ' A' ' 37' ' ' ASN . 29.0 m -102.92 -6.45 9.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.445 -177.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.428 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -176.3 174.44 46.96 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.412 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.5 t -121.4 152.03 24.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -135.61 134.91 39.79 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.252 -177.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -150.35 150.5 31.52 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.762 174.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.4 p -103.97 144.64 31.26 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 177.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 2.3 t-160 -130.38 138.41 32.99 Favored Pre-proline 0 C--N 1.319 -0.718 0 C-N-CA 119.497 -0.881 . . . . 0.0 111.85 -170.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.457 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 61.4 Cg_endo -104.76 -171.45 0.06 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.147 0 C-N-CA 124.32 3.347 . . . . 0.0 110.571 165.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.457 ' HB3' ' O ' ' A' ' 86' ' ' PRO . 19.8 t70 70.81 -69.7 0.17 Allowed 'General case' 0 N--CA 1.474 0.749 0 CA-C-O 120.807 0.337 . . . . 0.0 110.449 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 61.0 m80 -107.2 140.27 21.28 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 167.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -84.57 -58.9 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 121.543 1.495 . . . . 0.0 115.025 -165.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.422 ' O ' ' HZ2' ' A' ' 123' ' ' TRP . . . -128.95 43.24 3.18 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.121 0.486 . . . . 0.0 111.328 -170.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.534 ' HB2' ' HD2' ' A' ' 92' ' ' PRO . 34.9 ptt85 -164.83 161.62 15.02 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.003 172.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.534 ' HD2' ' HB2' ' A' ' 91' ' ' ARG . 39.6 Cg_endo -66.7 -174.75 0.49 Allowed 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.629 2.219 . . . . 0.0 113.286 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.407 ' H ' ' HB3' ' A' ' 96' ' ' ASP . 49.3 m -151.08 -169.88 3.51 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.335 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.46 -49.28 74.28 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -171.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.2 m -79.47 -34.86 41.07 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.805 0.336 . . . . 0.0 110.53 -177.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.407 ' HB3' ' H ' ' A' ' 93' ' ' SER . 3.7 t70 -58.87 -39.57 81.77 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.638 176.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -69.28 -45.33 69.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.433 177.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -62.13 -39.37 92.34 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -173.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -79.88 -17.28 53.54 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.6 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -83.24 67.19 9.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.302 0.572 . . . . 0.0 110.418 177.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.7 m -95.89 11.94 32.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.453 -175.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -120.38 86.92 39.69 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.21 0.528 . . . . 0.0 111.44 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.533 ' HA ' HD22 ' A' ' 125' ' ' LEU . 66.4 Cg_endo -76.26 88.81 1.31 Allowed 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.552 2.168 . . . . 0.0 112.457 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -172.04 21.94 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.082 176.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.428 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 92.0 m-85 -141.47 163.67 32.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.558 0.218 . . . . 0.0 110.545 -177.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.0 m -92.75 138.42 31.51 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 173.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -111.46 114.41 27.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.826 0.346 . . . . 0.0 111.232 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.4 t -98.08 116.54 41.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.028 0.442 . . . . 0.0 109.918 175.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.0 mt -111.77 117.9 56.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.322 177.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.6 p -109.57 136.91 44.06 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-O 121.191 0.52 . . . . 0.0 110.195 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.41 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 32.7 t -81.19 107.25 13.83 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.296 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 65.6 t -118.48 115.68 48.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.588 178.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.509 ' HB2' ' HB1' ' A' ' 116' ' ' ALA . 19.4 mtp180 -91.66 49.29 1.55 Allowed 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.848 -176.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 30.7 t70 62.74 84.13 0.15 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.79 -178.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 81.99 -2.19 84.54 Favored Glycine 0 N--CA 1.452 -0.252 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.482 -179.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.509 ' HB1' ' HB2' ' A' ' 113' ' ' ARG . . . -120.84 112.43 33.66 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 122.618 -0.342 . . . . 0.0 111.401 -178.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -77.82 118.18 4.41 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.998 2.465 . . . . 0.0 111.327 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.459 ' OE2' ' HD2' ' A' ' 113' ' ' ARG . 42.4 tt0 -100.11 -69.04 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.803 0.335 . . . . 0.0 110.976 -177.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.4 ' H ' ' HB3' ' A' ' 111' ' ' SER . . . -144.17 154.89 43.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.801 -177.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.2 tt -119.15 128.69 54.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 37.3 p -131.72 141.24 49.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.631 0.253 . . . . 0.0 111.123 -177.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -113.05 133.53 54.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.851 0.358 . . . . 0.0 110.192 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.422 ' HZ2' ' O ' ' A' ' 90' ' ' ALA . 70.5 m95 -128.74 149.81 50.55 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.288 -173.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -110.79 131.06 55.37 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.411 174.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.533 HD22 ' HA ' ' A' ' 103' ' ' PRO . 50.7 tp -81.11 139.61 35.54 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.432 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . . . -61.64 142.77 94.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.455 177.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 126' ' ' ALA . 32.1 Cg_exo -59.15 -21.34 59.03 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.919 2.413 . . . . 0.0 112.756 -177.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -113.78 26.22 10.54 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 46.15 34.03 1.96 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.044 0.938 . . . . 0.0 111.966 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.36 -39.92 77.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.629 -179.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -178.71 -174.52 0.37 Allowed 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.067 -175.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.442 ' CD1' ' HG3' ' A' ' 92' ' ' PRO . 82.5 m-85 -106.04 144.46 32.72 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 176.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -124.48 146.2 49.08 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 176.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 18.1 tpt85 -79.24 134.81 36.65 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.433 -175.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -131.49 162.1 31.01 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.449 -176.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -101.92 144.13 30.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.87 0.367 . . . . 0.0 111.337 -174.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 58.8 mt -96.63 131.93 42.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.531 -178.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.541 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 1.3 m -109.59 150.09 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.93 0.395 . . . . 0.0 110.829 178.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.532 ' HG2' ' HD2' ' A' ' 140' ' ' PRO . 9.5 ttp180 -94.04 139.59 22.63 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.476 -175.122 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.532 ' HD2' ' HG2' ' A' ' 139' ' ' ARG . 29.6 Cg_exo -27.23 125.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.762 1 C-N-CA 125.743 4.295 . . . . 0.0 115.817 -177.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.445 ' CG ' ' HZ2' ' A' ' 2' ' ' LYS . 0.3 OUTLIER -111.54 111.27 54.86 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 114.223 -1.353 . . . . 0.0 110.287 177.849 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -88.53 21.54 0.98 Allowed 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 122.589 2.192 . . . . 0.0 112.174 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -142.47 18.07 2.04 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.545 -177.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.4 ' HA ' ' HD3' ' A' ' 145' ' ' PRO . . . -76.17 120.19 80.59 Favored Pre-proline 0 C--N 1.317 -0.843 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.135 -178.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 144' ' ' ALA . 3.9 Cg_exo -75.41 129.36 11.91 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 122.683 2.255 . . . . 0.0 111.547 177.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.467 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 2.3 pt? -89.79 146.14 24.68 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.366 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.831 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 3.3 mm-40 -81.39 136.79 35.73 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-O 121.226 0.536 . . . . 0.0 111.366 178.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -149.66 35.42 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.557 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -83.4 136.45 34.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.524 175.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -72.3 94.93 1.65 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.947 0.403 . . . . 0.0 111.398 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -81.28 161.81 23.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.927 173.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -94.95 157.26 15.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.038 0.447 . . . . 0.0 110.581 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 . . . . . 0 C--N 1.32 -0.707 0 CA-C-O 118.085 -0.96 . . . . 0.0 109.726 -174.724 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.497 ' H3 ' ' CD ' ' A' ' 135' ' ' GLU . 26.7 ttt . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 138' ' ' VAL . 12.3 mptt -106.02 120.59 42.17 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.882 0.372 . . . . 0.0 110.745 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.0 t -159.4 173.87 15.58 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.45 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.8 p -103.1 156.09 35.79 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 120.766 0.317 . . . . 0.0 110.711 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HA ' HD12 ' A' ' 8' ' ' LEU . 11.8 Cg_endo -57.42 -29.38 84.26 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.832 2.354 . . . . 0.0 111.841 176.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.91 -40.05 91.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.271 176.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.475 ' O ' HG13 ' A' ' 11' ' ' ILE . 50.3 mm -73.31 -40.22 56.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.345 -0.389 . . . . 0.0 109.969 177.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.488 HD13 HG23 ' A' ' 137' ' ' ILE . 95.0 mt -56.41 -43.32 79.24 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.392 178.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -60.43 -47.88 84.2 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.485 177.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -57.37 -39.96 77.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.741 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 7' ' ' ILE . 72.5 mt -59.63 -48.95 85.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.872 0.367 . . . . 0.0 110.6 178.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.8 ttp180 -65.32 -43.65 90.31 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.384 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.0 t -64.7 -48.3 85.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.315 -178.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -66.1 -28.59 68.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.557 0.218 . . . . 0.0 111.578 -177.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.4 -49.29 75.46 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.034 176.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.498 ' HB1' ' HG3' ' A' ' 117' ' ' PRO . . . -74.1 -26.98 60.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.886 0.374 . . . . 0.0 110.953 177.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -65.17 -38.52 90.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.109 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.54 -27.28 55.87 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.276 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.71 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 4.7 t80 -59.48 150.12 66.77 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.805 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.71 ' HA ' ' CG ' ' A' ' 19' ' ' TYR . 5.5 Cg_exo -78.41 -4.51 34.47 Favored 'Cis proline' 0 C--N 1.352 0.716 0 C-N-CA 124.703 -0.957 . . . . 0.0 114.002 5.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -75.41 152.79 37.95 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -72.31 111.7 7.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.336 0.589 . . . . 0.0 110.666 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.8 -81.19 0.43 Allowed Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.533 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 58.0 m 66.8 160.04 0.14 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.261 0.553 . . . . 0.0 111.487 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.463 ' HA2' ' N ' ' A' ' 45' ' ' ALA . . . 176.9 -175.29 47.59 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.204 -0.998 . . . . 0.0 112.674 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -120.17 153.39 36.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.785 0.326 . . . . 0.0 110.215 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.9 mt -94.04 121.98 36.08 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.603 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.527 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 62.6 mt -104.08 131.84 50.94 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.102 0.477 . . . . 0.0 110.012 -178.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.473 ' HA2' HD13 ' A' ' 76' ' ' LEU . . . 178.3 -148.28 8.4 Favored Glycine 0 N--CA 1.442 -0.956 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -178.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.469 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -137.09 147.18 45.91 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.259 179.123 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.5 t -97.88 123.88 50.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 174.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 59.4 p -79.92 172.5 13.69 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.374 0.607 . . . . 0.0 111.66 -174.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -59.86 -36.56 77.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.072 172.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -76.94 -3.99 41.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.127 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.27 25.91 35.23 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.271 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -85.47 133.59 34.09 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 121.104 0.478 . . . . 0.0 110.02 177.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -98.88 103.16 15.09 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 174.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 30' ' ' THR . 29.6 ptt180 -112.24 143.75 42.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.296 0.57 . . . . 0.0 110.294 -176.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.478 HG22 ' HE2' ' A' ' 1' ' ' MET . 59.0 t -114.74 120.26 63.88 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.638 -173.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -114.92 -8.88 12.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.554 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.527 ' HB1' ' HB2' ' A' ' 28' ' ' LEU . . . -149.17 150.4 32.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.863 0.363 . . . . 0.0 111.223 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.8 mt -121.1 156.62 31.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.193 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -163.38 132.33 3.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.36 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -71.96 137.24 47.18 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 174.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.836 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . . . -53.33 -77.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.742 0.651 . . . . 0.0 112.552 -171.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.17 122.6 17.44 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 120.878 0.371 . . . . 0.0 110.248 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.444 HD21 ' CG ' ' A' ' 62' ' ' ASP . 0.8 OUTLIER -72.7 -42.2 64.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.442 -176.682 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 66.67 -10.92 0.26 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.593 0.757 . . . . 0.0 112.954 174.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.438 ' H ' ' C ' ' A' ' 47' ' ' ASN . 25.2 ttt85 -81.22 -38.12 27.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.943 0.402 . . . . 0.0 110.471 -177.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.6 t -129.27 149.73 50.94 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 174.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -77.47 -38.92 48.26 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 71.84 -8.13 1.16 Allowed 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.283 -0.871 . . . . 0.0 112.256 173.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 24.1 ttm180 -46.18 -60.21 2.44 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 122.932 0.493 . . . . 0.0 111.484 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.7 m 66.36 -68.15 0.14 Allowed 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 177.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -137.55 -53.31 0.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.722 0.296 . . . . 0.0 110.366 -175.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.557 ' O ' ' HG3' ' A' ' 53' ' ' ARG . 66.2 mtt-85 -79.66 168.19 19.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.95 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -87.64 122.88 31.88 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 177.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.674 ' HG2' ' H ' ' A' ' 60' ' ' THR . 0.7 OUTLIER -64.67 -27.32 68.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.386 -176.311 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 60' ' ' THR . 33.1 tp 59.98 31.88 20.86 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 121.171 0.51 . . . . 0.0 110.061 -179.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.674 ' H ' ' HG2' ' A' ' 58' ' ' GLU . 0.6 OUTLIER 61.24 20.13 10.73 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.996 177.896 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.89 71.72 0.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.033 0.444 . . . . 0.0 111.315 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.444 ' CG ' HD21 ' A' ' 47' ' ' ASN . 13.9 t70 -97.63 -24.5 15.49 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.505 0.669 . . . . 0.0 110.298 178.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.836 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 5.1 m-20 -46.44 -57.49 4.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.15 -1.386 . . . . 0.0 113.284 -172.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -68.62 -42.65 77.78 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.41 -175.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.6 mtp85 -56.75 -39.77 74.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.636 0.255 . . . . 0.0 111.676 -175.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.88 -36.08 67.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.966 0.412 . . . . 0.0 111.237 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.23 -39.29 78.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.24 -40.2 95.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.738 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.22 -48.59 64.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.833 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.0 -34.08 74.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.114 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.489 ' HB2' HD21 ' A' ' 28' ' ' LEU . . . -61.03 -51.39 69.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.883 0.373 . . . . 0.0 110.462 176.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -64.17 -33.03 74.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.489 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -57.95 -43.73 86.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.061 0.458 . . . . 0.0 111.92 174.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -84.63 -12.21 54.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.843 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.72 33.0 31.75 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.81 -0.71 . . . . 0.0 111.441 -176.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.473 HD13 ' HA2' ' A' ' 29' ' ' GLY . 81.4 mt -125.52 -176.57 3.63 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.355 -0.422 . . . . 0.0 110.038 -177.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -136.63 177.45 7.84 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 174.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 42.8 t -85.3 111.07 20.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.432 -178.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.9 m -98.89 -10.28 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.494 -176.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.416 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -177.57 178.7 48.37 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.264 -179.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.6 t -135.48 154.53 35.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.561 ' HB3' ' HB ' ' A' ' 108' ' ' VAL . 54.0 p90 -142.35 140.2 32.02 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.086 0.469 . . . . 0.0 110.624 178.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -145.8 153.94 41.46 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.9 m -102.1 155.69 18.03 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 120.868 0.366 . . . . 0.0 110.689 -170.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.43 ' HB3' ' HB2' ' A' ' 88' ' ' HIS . 19.9 m170 -110.59 89.21 8.66 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.73 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.428 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 17.0 Cg_endo -58.86 120.8 8.89 Favored 'Trans proline' 0 C--O 1.237 0.473 0 C-N-CA 121.947 1.765 . . . . 0.0 111.071 174.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.428 ' HB3' ' O ' ' A' ' 86' ' ' PRO . 27.1 t70 76.41 -38.48 0.33 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.647 0.779 . . . . 0.0 111.863 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.43 ' HB2' ' HB3' ' A' ' 85' ' ' HIS . 29.3 m80 -78.92 154.6 77.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 120.71 0.29 . . . . 0.0 110.575 177.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 88' ' ' HIS . 3.6 Cg_exo -82.18 -174.14 2.0 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.719 2.28 . . . . 0.0 112.04 176.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.1 -165.89 0.14 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.156 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 54.6 mtt85 66.64 144.43 0.09 OUTLIER Pre-proline 0 CA--C 1.532 0.279 0 C-N-CA 123.241 0.616 . . . . 0.0 110.796 -176.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.66 125.65 13.58 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.494 2.129 . . . . 0.0 112.452 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.1 m -84.52 -177.86 6.73 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.935 175.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.33 83.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.734 0.302 . . . . 0.0 111.054 -178.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.8 m -64.02 -38.48 91.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.173 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.07 -42.96 99.47 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.922 0.391 . . . . 0.0 110.363 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.8 tt -68.96 -43.41 75.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.014 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -62.43 -39.1 92.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.23 -177.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -98.3 17.44 18.74 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.717 -177.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.46 ' HB2' HD23 ' A' ' 125' ' ' LEU . . . -85.31 78.93 9.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 109.603 173.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.5 m -83.35 -26.38 30.57 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.315 -0.857 . . . . 0.0 112.177 -172.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -120.32 88.7 42.46 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -169.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -67.97 -178.92 1.86 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.822 2.348 . . . . 0.0 111.978 177.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 91.11 -40.66 2.95 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.686 -177.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.416 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 95.8 m-85 -77.69 152.81 33.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.684 0.278 . . . . 0.0 110.268 176.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.7 m -91.33 123.67 34.94 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 176.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.421 ' CD2' ' HE2' ' A' ' 132' ' ' PHE . 82.4 m-85 -93.07 117.0 29.57 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.185 -179.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.561 ' HB ' ' HB3' ' A' ' 82' ' ' TYR . 97.6 t -103.52 120.71 53.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.193 0.52 . . . . 0.0 110.516 177.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 29.9 mm -110.52 117.77 55.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.496 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.46 ' HA ' ' HA ' ' A' ' 120' ' ' LEU . 6.5 p -112.55 134.22 55.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.425 0.631 . . . . 0.0 111.017 -178.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.736 ' HB2' ' HB3' ' A' ' 118' ' ' GLU . 49.7 m -81.0 118.02 22.11 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.551 177.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.403 ' HA ' ' HA ' ' A' ' 117' ' ' PRO . 55.9 t -121.12 115.12 45.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 174.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.3 ttt85 -117.86 75.0 0.97 Allowed 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 120.573 -0.451 . . . . 0.0 109.892 -175.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.625 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 19.0 t70 48.69 86.89 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 114.669 -1.15 . . . . 0.0 112.087 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.523 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 82.0 -37.64 2.53 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.702 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -104.7 104.5 46.13 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 121.002 0.429 . . . . 0.0 112.025 -176.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.523 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 3.3 Cg_exo -78.07 127.57 8.55 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 122.928 2.419 . . . . 0.0 111.277 172.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.736 ' HB3' ' HB2' ' A' ' 111' ' ' SER . 31.8 tt0 -73.61 -77.05 0.11 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.022 0.439 . . . . 0.0 110.387 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -154.22 159.72 41.48 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.101 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.465 HD23 ' O ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -111.35 136.92 49.79 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 175.232 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 25.7 p -122.04 138.17 54.54 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.508 -177.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.04 136.97 47.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.922 0.392 . . . . 0.0 110.142 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -135.31 145.16 47.21 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.283 -174.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -109.86 127.89 54.99 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.657 174.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.46 HD23 ' HB2' ' A' ' 100' ' ' ALA . 61.6 tp -85.26 130.26 34.64 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.02 135.75 95.31 Favored Pre-proline 0 N--CA 1.449 -0.501 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 174.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -58.04 -22.56 56.09 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.907 2.405 . . . . 0.0 112.636 -176.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -83.09 -4.51 58.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.215 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? 63.87 24.1 13.6 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.532 0.52 . . . . 0.0 110.554 -176.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 20.2 p -72.27 -50.97 23.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.636 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -163.8 -178.02 5.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.323 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.421 ' HE2' ' CD2' ' A' ' 107' ' ' TYR . 72.3 m-85 -106.2 154.19 21.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.169 173.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -123.31 142.4 50.99 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -69.86 137.89 52.08 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.769 -175.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.497 ' CD ' ' H3 ' ' A' ' 1' ' ' MET . 5.8 tp10 -114.06 149.56 35.29 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.016 175.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -107.26 148.75 28.56 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 121.409 0.623 . . . . 0.0 111.467 -176.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.488 HG23 HD13 ' A' ' 8' ' ' LEU . 45.7 mm -92.4 113.33 27.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.235 174.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.521 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 0.5 OUTLIER -130.96 155.48 41.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -178.585 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 54.5 mtm180 -88.73 127.76 55.03 Favored Pre-proline 0 C--N 1.317 -0.835 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.862 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -64.56 173.86 5.02 Favored 'Trans proline' 0 C--O 1.238 0.489 0 C-N-CA 122.945 2.43 . . . . 0.0 112.696 -177.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.92 148.42 59.59 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.854 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.77 47.22 0.92 Allowed 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 123.403 2.736 . . . . 0.0 113.344 -176.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -160.9 -35.62 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.056 176.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . 50.08 74.79 0.75 Allowed Pre-proline 0 C--O 1.233 0.231 0 O-C-N 123.773 0.671 . . . . 0.0 111.437 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -63.91 129.24 24.04 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.141 1.894 . . . . 0.0 112.289 -175.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -117.34 -170.9 1.94 Allowed 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.614 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.411 ' HG2' ' H ' ' A' ' 148' ' ' HIS . 21.0 tt0 -84.12 175.33 9.56 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . 0.411 ' H ' ' HG2' ' A' ' 147' ' ' GLU . 54.4 m80 -84.13 -167.6 1.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.65 0.262 . . . . 0.0 110.407 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -76.28 78.41 3.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.221 0.534 . . . . 0.0 110.155 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -94.33 -4.53 48.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.468 -178.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -71.91 94.18 1.42 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 175.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 70.0 t60 64.66 83.01 0.17 Allowed 'General case' 0 C--O 1.237 0.403 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.665 -175.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 . . . . . 0 C--O 1.245 0.864 0 CA-C-O 118.15 -0.928 . . . . 0.0 109.593 178.031 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.417 ' HE3' HG22 ' A' ' 39' ' ' VAL . 20.5 ttt . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 120.587 0.232 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.716 ' HB3' ' HG3' ' A' ' 140' ' ' PRO . 13.7 mptt -93.61 137.82 32.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.081 174.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.455 HG22 HG22 ' A' ' 137' ' ' ILE . 13.5 t -158.19 174.01 15.83 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 174.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.7 p -123.74 156.65 64.7 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.957 -177.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -51.58 -33.3 47.69 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.468 2.779 . . . . 0.0 112.483 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.497 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 3.8 m-20 -56.65 -49.55 74.72 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.479 178.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.541 ' O ' HG13 ' A' ' 11' ' ' ILE . 50.9 mm -66.67 -45.41 88.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.462 -177.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.444 HD13 HG21 ' A' ' 137' ' ' ILE . 98.2 mt -59.37 -42.33 91.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.384 -178.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -69.21 -41.35 77.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.543 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 49.2 mt-30 -57.75 -38.35 75.22 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.2 177.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 7' ' ' ILE . 78.9 mt -60.14 -41.26 86.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.767 0.318 . . . . 0.0 110.531 177.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.6 ' HG2' HD12 ' A' ' 120' ' ' LEU . 57.4 mtm180 -65.16 -49.69 68.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.651 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.9 t -66.29 -49.1 78.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.039 -176.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -67.47 -27.84 67.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.253 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.16 -49.52 52.47 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.002 176.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.41 -29.83 67.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.167 0.508 . . . . 0.0 110.445 177.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -60.0 -37.82 80.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.985 175.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.09 -43.75 77.81 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.33 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -58.64 145.67 76.57 Favored Pre-proline 0 N--CA 1.465 0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.206 -177.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -80.38 -3.45 42.03 Favored 'Cis proline' 0 CA--C 1.535 0.542 0 C-N-CA 123.859 -1.309 . . . . 0.0 113.75 4.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -80.95 176.4 9.85 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.56 139.24 32.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.223 0.535 . . . . 0.0 111.586 -174.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.8 -82.08 1.02 Allowed Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.731 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.486 ' O ' ' HA ' ' A' ' 44' ' ' ARG . 26.2 p 47.03 -166.42 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.915 0.886 . . . . 0.0 112.784 178.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 137.71 -152.53 21.71 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.357 -0.925 . . . . 0.0 112.742 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -120.37 166.71 13.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.912 0.387 . . . . 0.0 111.14 -173.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 64.4 mt -111.29 130.53 55.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.406 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.519 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 60.3 mt -114.47 144.95 42.51 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.553 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . 179.16 -162.37 29.19 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 119.691 -1.242 . . . . 0.0 113.093 179.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.5 p -110.16 158.63 18.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.341 -0.43 . . . . 0.0 110.681 -178.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.1 t -91.68 119.83 39.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 172.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.5 m -89.26 -47.66 7.9 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.586 0.708 . . . . 0.0 111.738 -166.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -101.22 2.69 40.21 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.184 -174.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.1 t70 61.98 28.48 17.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 122.797 1.284 . . . . 0.0 108.171 -170.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.25 -32.54 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 113.39 -1.732 . . . . 0.0 110.72 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -112.42 153.93 26.59 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 174.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.447 ' HB2' ' HB ' ' A' ' 79' ' ' VAL . 28.3 p30 -109.39 150.88 27.41 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.874 -171.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.553 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 77.3 ttt180 -116.61 137.78 51.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.018 172.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.417 HG22 ' HE3' ' A' ' 1' ' ' MET . 60.9 t -98.69 114.54 36.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.47 -10.63 8.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.254 -176.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.519 ' HB1' ' HB2' ' A' ' 28' ' ' LEU . . . -143.04 142.77 31.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.171 179.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.2 mt -108.89 141.55 40.79 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.576 -178.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -118.78 120.0 36.07 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 173.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.486 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 56.4 mtp180 -90.71 137.58 32.25 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 173.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.15 -39.42 63.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 123.237 0.336 . . . . 0.0 111.14 -176.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.4 m -67.89 -4.74 13.8 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -176.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -88.81 90.7 8.52 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.881 0.372 . . . . 0.0 110.663 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.59 ' HE ' ' HB3' ' A' ' 63' ' ' ASP . 4.7 mpt_? -104.55 164.0 12.06 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.251 -0.432 . . . . 0.0 109.871 175.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 73.43 110.27 0.07 Allowed 'General case' 0 N--CA 1.465 0.295 0 O-C-N 124.015 0.822 . . . . 0.0 111.244 177.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.0 t -137.87 149.36 46.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.588 178.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -84.72 86.64 7.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.491 0.662 . . . . 0.0 110.369 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.59 HE21 ' HA ' ' A' ' 55' ' ' ARG . 26.7 tt0 -79.63 119.68 22.92 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.695 -1.139 . . . . 0.0 110.038 179.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -59.02 5.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.332 0.587 . . . . 0.0 110.745 -176.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.1 m -90.78 102.93 15.68 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.936 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.59 ' HA ' HE21 ' A' ' 52' ' ' GLN . 19.7 mtp180 -74.36 79.74 1.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.158 0.504 . . . . 0.0 110.909 -177.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.421 ' NE ' ' HA ' ' A' ' 56' ' ' ARG . 2.6 mmp_? -77.78 -45.65 23.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.266 178.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -128.85 153.77 47.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.68 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -89.4 13.29 14.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 123.327 0.392 . . . . 0.0 111.892 -171.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -93.96 101.41 13.47 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.949 0.404 . . . . 0.0 111.144 -177.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.7 p -115.33 -25.97 7.78 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.027 175.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.14 -20.63 59.31 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.049 175.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -78.01 113.48 15.96 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 173.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.59 ' HB3' ' HE ' ' A' ' 48' ' ' ARG . 2.1 p-10 -75.31 -18.57 60.0 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.876 -171.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -69.19 -48.07 63.12 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 172.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -36.75 84.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.882 174.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.435 ' HB2' ' HA ' ' A' ' 63' ' ' ASP . . . -68.82 -33.65 74.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.056 178.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.91 -41.52 78.07 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 120.944 0.402 . . . . 0.0 110.05 178.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -65.83 -43.32 88.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.753 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.511 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -60.99 -53.89 51.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.855 178.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.35 -36.03 77.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.938 0.399 . . . . 0.0 111.094 -178.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.506 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -63.8 -51.31 65.33 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.798 175.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -59.34 -41.88 90.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.419 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 75.3 mm-40 -55.87 -40.1 72.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.843 176.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -87.37 -7.15 58.07 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.15 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.08 27.69 36.47 Favored Glycine 0 N--CA 1.454 -0.125 0 C-N-CA 120.577 -0.821 . . . . 0.0 111.951 -178.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.3 mt -120.06 -173.16 2.49 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -152.5 177.39 10.68 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 169.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.0 t -78.97 110.5 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.901 0.381 . . . . 0.0 110.185 -177.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.447 ' HB ' ' HB2' ' A' ' 37' ' ' ASN . 27.4 m -99.3 -24.41 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.803 -175.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.454 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -165.38 -171.37 31.51 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 119.924 -1.132 . . . . 0.0 113.213 -177.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.8 t -137.58 159.65 34.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -139.22 136.34 34.88 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.234 0.54 . . . . 0.0 110.361 176.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -128.79 138.34 52.02 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.354 -176.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.9 m -105.24 155.86 18.66 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.909 0.385 . . . . 0.0 110.685 -174.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.453 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 60.1 m80 -131.97 143.08 47.53 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 175.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.599 ' O ' ' HA ' ' A' ' 113' ' ' ARG . 6.3 Cg_exo -80.13 -15.33 11.66 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.001 2.467 . . . . 0.0 112.971 -177.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -172.7 102.84 0.14 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.192 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.417 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 0.1 OUTLIER -176.62 149.72 0.91 Allowed Pre-proline 0 N--CA 1.466 0.358 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 177.507 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 88' ' ' HIS . 6.1 Cg_exo -75.59 62.14 6.26 Favored 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 122.552 2.168 . . . . 0.0 113.111 -178.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 46.72 30.25 1.13 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.406 1.082 . . . . 0.0 113.072 176.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.453 ' HB2' ' HD2' ' A' ' 92' ' ' PRO . 14.0 ptp180 -123.3 159.02 56.56 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 91' ' ' ARG . 57.6 Cg_endo -70.67 155.06 63.69 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.643 2.229 . . . . 0.0 112.381 178.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.8 m -109.24 178.5 4.43 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 176.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.76 -43.73 72.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.009 0.433 . . . . 0.0 111.014 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 41.2 m -62.17 -38.64 89.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.666 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -62.44 -40.92 98.14 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.851 0.357 . . . . 0.0 110.336 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -68.5 -44.23 75.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.928 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -63.73 -33.03 74.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.081 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -88.88 -2.43 58.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.393 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.15 78.79 6.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.405 0.622 . . . . 0.0 110.705 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.3 m -110.01 0.62 18.56 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.462 0.649 . . . . 0.0 110.571 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -119.19 86.84 33.52 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.195 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -74.13 156.7 46.9 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.235 1.957 . . . . 0.0 111.834 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 120.98 -25.71 7.03 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.197 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.454 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 94.2 m-85 -100.6 154.56 18.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.874 0.369 . . . . 0.0 110.897 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 21.9 m -91.32 135.94 33.45 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 175.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -105.19 111.53 24.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.682 0.277 . . . . 0.0 110.753 -176.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 84.7 t -96.32 126.24 49.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.226 0.536 . . . . 0.0 110.402 176.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.4 mt -114.02 125.9 71.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.705 -178.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.612 HG22 ' HG ' ' A' ' 120' ' ' LEU . 5.6 p -116.11 128.82 73.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.648 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.6 m -88.49 107.65 18.99 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.926 176.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 47.3 t -120.77 113.8 41.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 172.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.599 ' HA ' ' O ' ' A' ' 86' ' ' PRO . 41.9 mtt180 -97.23 95.98 8.1 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.641 -173.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 22.3 t70 60.85 21.84 11.96 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.965 176.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 121.11 -11.64 9.9 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.453 -0.879 . . . . 0.0 112.738 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -102.69 109.79 61.74 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.88 0.34 . . . . 0.0 111.057 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -73.92 122.13 7.47 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.53 2.153 . . . . 0.0 112.168 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -103.51 -75.9 0.6 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.557 -175.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -126.91 142.59 51.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.21 0.528 . . . . 0.0 111.63 -173.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.612 ' HG ' HG22 ' A' ' 110' ' ' VAL . 6.6 mp -119.7 138.35 53.35 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.402 176.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.65 HG22 HH11 ' A' ' 134' ' ' ARG . 3.9 m -150.12 156.65 42.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.856 0.36 . . . . 0.0 110.268 177.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -112.15 141.8 45.4 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.802 177.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -126.61 138.66 53.47 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.342 -176.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.33 130.08 52.19 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.331 176.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 47.5 tp -80.06 135.33 36.32 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.41 142.52 59.81 Favored Pre-proline 0 C--N 1.328 -0.356 0 O-C-N 123.502 0.501 . . . . 0.0 109.903 177.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -27.98 -54.48 0.13 Allowed 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 124.963 3.775 . . . . 0.0 115.034 -172.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -125.82 69.78 1.19 Allowed 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.262 -0.575 . . . . 0.0 111.954 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 55.1 mtm180 58.18 32.08 21.57 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.858 166.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 15.5 m -84.81 -51.17 6.96 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.576 -176.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -166.21 -178.61 4.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.43 -176.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -108.05 144.58 35.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.384 178.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -124.84 146.04 49.48 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.552 175.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.65 HH11 HG22 ' A' ' 121' ' ' THR . 10.7 tpp180 -69.59 137.04 51.99 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.114 -179.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -131.67 149.12 52.6 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.926 0.393 . . . . 0.0 110.021 178.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -93.42 157.5 16.19 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.506 -176.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.455 HG22 HG22 ' A' ' 3' ' ' THR . 2.4 mp -93.12 113.8 28.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.728 177.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.481 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 11.6 m -110.29 151.42 12.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.237 0.541 . . . . 0.0 110.714 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.42 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 86.1 mtt180 -106.12 137.81 19.49 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.625 -174.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.716 ' HG3' ' HB3' ' A' ' 2' ' ' LYS . 12.0 Cg_exo -69.77 135.46 30.48 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.882 2.388 . . . . 0.0 112.156 179.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.427 ' C ' ' H ' ' A' ' 143' ' ' GLU . 10.6 m-20 -82.82 120.42 76.28 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.344 178.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -81.02 26.55 0.6 Allowed 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.681 2.254 . . . . 0.0 111.866 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.427 ' H ' ' C ' ' A' ' 141' ' ' ASP . 49.2 mt-10 -114.33 -0.32 13.88 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.544 -1.207 . . . . 0.0 110.591 -177.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -78.98 132.53 63.52 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.165 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -63.5 135.75 51.11 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.219 1.946 . . . . 0.0 111.86 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.74 141.27 28.77 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.269 -178.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -74.88 -178.43 3.73 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.866 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -95.92 88.4 4.9 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 172.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -80.69 146.98 30.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.239 -177.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.409 ' CE1' ' HB2' ' A' ' 152' ' ' HIS . 21.3 t-80 -107.93 141.53 39.41 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.708 0.289 . . . . 0.0 111.207 -172.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.451 ' C ' ' H ' ' A' ' 153' ' ' HIS . 2.2 m170 -104.19 -85.23 0.47 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.177 174.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.409 ' HB2' ' CE1' ' A' ' 150' ' ' HIS . 50.0 t-80 70.87 -39.52 0.45 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.494 0.717 . . . . 0.0 111.022 -173.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . 0.451 ' H ' ' C ' ' A' ' 151' ' ' HIS . 46.7 p-80 . . . . . 0 C--O 1.242 0.679 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 174.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ttt . . . . . 0 N--CA 1.477 0.903 0 CA-C-O 120.71 0.291 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.48 ' HB3' ' HG3' ' A' ' 140' ' ' PRO . 12.4 mptt -111.04 135.73 51.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.132 173.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.1 t -157.79 164.34 37.13 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 175.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.0 p -99.07 152.42 37.78 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-O 120.862 0.363 . . . . 0.0 111.24 -176.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -57.15 -33.57 96.12 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.385 2.723 . . . . 0.0 113.192 -177.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.412 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 4.1 p-10 -65.38 -33.15 75.28 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.571 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.579 ' O ' HG13 ' A' ' 11' ' ' ILE . 47.1 mm -70.11 -45.67 75.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 177.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.2 mt -58.85 -41.21 86.46 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.754 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -61.3 -47.17 87.19 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.419 175.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 27.7 mt-30 -61.66 -30.63 70.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.58 177.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 7' ' ' ILE . 75.0 mt -65.41 -49.91 75.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 C-N-CA 121.213 -0.195 . . . . 0.0 111.083 178.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -64.78 -38.36 90.74 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 120.83 0.347 . . . . 0.0 110.952 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.6 t -66.16 -42.98 92.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.332 176.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -56.09 -34.59 66.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.279 177.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.06 -50.1 59.17 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.66 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.56 -35.9 63.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.734 0.302 . . . . 0.0 111.495 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -68.96 -35.26 76.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.323 -175.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.97 -29.02 60.79 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.908 -178.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -66.47 158.47 78.3 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.11 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -72.74 -3.46 13.28 Favored 'Cis proline' 0 C--N 1.351 0.683 0 C-N-CA 124.541 -1.025 . . . . 0.0 113.987 5.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -75.16 169.9 17.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.892 0.377 . . . . 0.0 111.015 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -91.09 128.68 37.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.097 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -126.21 54.14 0.77 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.417 -0.897 . . . . 0.0 113.332 -177.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.6 p -84.05 -178.14 6.88 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 175.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 165.11 -162.93 36.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.343 -0.932 . . . . 0.0 112.866 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.711 ' HB2' ' HE1' ' A' ' 43' ' ' HIS . 10.6 m-85 -116.75 161.2 19.62 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 -178.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.422 HD21 HG13 ' A' ' 39' ' ' VAL . 80.6 mt -97.31 133.77 41.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.845 -177.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.511 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . 77.7 mt -112.39 136.09 52.29 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.06 -152.37 9.82 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.043 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.91 158.76 43.62 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 120.634 0.254 . . . . 0.0 111.114 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -94.79 131.27 42.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.909 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 47.1 p -86.23 164.07 17.39 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.566 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.58 ' OD2' ' HB3' ' A' ' 146' ' ' LEU . 76.1 m-20 -65.01 -13.9 59.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.658 0.266 . . . . 0.0 111.652 -177.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -78.0 -12.41 59.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.921 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.1 18.3 56.05 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.331 -174.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -117.21 161.17 19.9 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.6 p30 -105.59 147.63 28.2 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.823 0.821 . . . . 0.0 112.364 -172.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -116.2 110.08 18.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.948 -1.023 . . . . 0.0 109.58 174.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.422 HG13 HD21 ' A' ' 27' ' ' LEU . 57.9 t -83.85 118.42 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.08 -20.27 7.49 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -174.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.511 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . . . -138.92 143.61 38.73 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.203 0.525 . . . . 0.0 111.91 -176.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.4 mt -116.44 155.7 28.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.791 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.711 ' HE1' ' HB2' ' A' ' 26' ' ' PHE . 32.7 p-80 -149.09 159.88 43.84 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.755 0.312 . . . . 0.0 110.322 173.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.2 mtm-85 -87.66 137.85 31.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.742 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.81 112.53 0.79 Allowed 'General case' 0 C--O 1.233 0.2 0 O-C-N 123.408 0.442 . . . . 0.0 110.497 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.1 m -103.67 129.44 50.99 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.537 -174.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 67.44 96.61 0.06 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.596 -1.184 . . . . 0.0 112.154 175.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 68.7 mtm180 -129.46 -22.01 3.1 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.853 174.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -109.74 104.53 13.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.465 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.5 m -68.29 111.56 4.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.834 -176.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -76.19 127.09 32.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.222 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.98 104.57 1.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.784 -173.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 46.04 -90.16 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 114.742 -1.117 . . . . 0.0 112.357 -176.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.9 t 43.7 33.11 0.64 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.195 0.998 . . . . 0.0 112.918 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.2 ttt85 72.26 -1.76 2.81 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.676 0.79 . . . . 0.0 111.469 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -80.78 -57.51 3.52 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 170.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.4 t80 56.85 31.63 19.95 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.728 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.405 ' H ' ' HG2' ' A' ' 58' ' ' GLU . 5.2 pt-20 -74.26 83.39 1.88 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.689 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.651 HD12 ' H ' ' A' ' 60' ' ' THR . 0.5 OUTLIER -63.8 -39.96 95.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.353 179.153 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.651 ' H ' HD12 ' A' ' 59' ' ' LEU . 0.5 OUTLIER -159.81 110.65 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.925 0.393 . . . . 0.0 110.272 175.433 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.457 ' O ' ' HD2' ' A' ' 65' ' ' ARG . . . -103.38 -60.91 1.49 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.08 178.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 70.34 129.02 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 O-C-N 124.074 0.859 . . . . 0.0 111.922 177.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -56.21 -38.48 71.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.788 -178.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -55.39 -42.73 74.4 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.287 -177.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.457 ' HD2' ' O ' ' A' ' 61' ' ' ALA . 62.2 mtt85 -66.98 -38.54 86.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.874 0.369 . . . . 0.0 111.541 -178.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.57 -41.7 75.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.297 176.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.64 -39.91 95.36 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.509 176.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -58.4 -44.86 89.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.753 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -67.06 -50.97 60.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.096 179.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.57 -35.44 80.49 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.339 -177.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.483 ' HB3' HD22 ' A' ' 28' ' ' LEU . . . -62.86 -51.93 65.09 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 177.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -40.14 82.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.571 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 42.1 mt-10 -56.46 -43.15 79.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.62 175.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -84.64 -2.02 56.88 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.2 -176.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.67 25.88 61.97 Favored Glycine 0 N--CA 1.454 -0.124 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.74 -178.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.4 mt -124.64 -178.67 4.21 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -144.23 170.18 16.47 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 173.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.6 t -80.3 110.59 16.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.2 m -106.22 -5.6 10.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.241 -0.436 . . . . 0.0 112.075 -174.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.492 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -178.18 -173.52 43.65 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.023 -1.084 . . . . 0.0 113.2 -179.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.433 ' HA ' ' HA ' ' A' ' 26' ' ' PHE . 3.4 t -137.55 158.64 34.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 -179.393 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -141.16 135.9 31.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.257 0.551 . . . . 0.0 110.937 176.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -148.18 153.0 38.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.81 177.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.6 p -103.96 156.33 17.94 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.995 0.426 . . . . 0.0 110.962 -174.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -120.43 88.56 42.67 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.473 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -76.99 -6.77 16.97 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.088 1.858 . . . . 0.0 111.43 173.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -89.86 -38.31 13.82 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.605 -1.179 . . . . 0.0 110.877 -177.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.441 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 68.8 m80 -139.81 143.57 35.29 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.863 -179.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 88' ' ' HIS . 18.8 Cg_exo -67.73 97.62 0.47 Allowed 'Trans proline' 0 C--O 1.238 0.477 0 C-N-CA 122.565 2.177 . . . . 0.0 112.13 178.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 65.57 -175.55 0.18 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.719 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.52 155.12 0.06 OUTLIER Pre-proline 0 N--CA 1.479 0.986 0 C-N-CA 125.195 1.398 . . . . 0.0 113.744 178.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -84.66 151.85 11.59 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.544 2.163 . . . . 0.0 113.057 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.5 m -104.05 -175.44 2.8 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.701 176.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.661 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -64.43 -49.25 72.24 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -174.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.408 ' HA ' ' OE1' ' A' ' 98' ' ' GLU . 26.4 m -73.84 -32.1 63.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.155 0.502 . . . . 0.0 110.338 -178.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.08 -38.02 81.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.729 175.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.3 tt -70.09 -39.75 75.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.456 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.661 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 49.2 mt-10 -60.81 -39.02 87.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.433 -176.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -80.04 -11.51 59.77 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.131 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.15 99.49 5.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.248 0.547 . . . . 0.0 110.044 176.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.459 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 3.5 m -131.08 29.09 4.72 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.602 0.715 . . . . 0.0 110.076 -177.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.573 ' HB2' ' HH ' ' A' ' 107' ' ' TYR . 65.4 m-85 -114.57 86.15 12.21 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.306 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.459 ' HD3' ' O ' ' A' ' 101' ' ' THR . 16.9 Cg_exo -67.84 125.31 12.99 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.665 2.244 . . . . 0.0 112.014 -179.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.46 -10.15 49.72 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.682 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.492 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 13.2 m-85 -96.46 138.57 33.85 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 86.9 m -92.62 130.86 38.13 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.573 ' HH ' ' HB2' ' A' ' 102' ' ' PHE . 98.8 m-85 -100.43 113.62 26.53 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.01 0.433 . . . . 0.0 110.432 -177.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 90.5 t -95.33 119.61 43.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.45 0.643 . . . . 0.0 109.324 175.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 78.9 mt -110.2 118.43 57.0 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.124 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.771 -178.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 5.0 p -103.66 129.31 55.89 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.323 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.518 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 13.2 t -81.54 105.24 12.55 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 60.3 t -122.68 114.2 41.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 176.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -94.67 73.85 3.68 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 121.589 0.709 . . . . 0.0 109.7 -175.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.7 t70 52.7 62.78 2.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 113.825 -1.534 . . . . 0.0 110.944 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.424 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 105.64 -27.0 19.54 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.458 177.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -93.57 109.93 43.94 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 111.525 0.194 . . . . 0.0 111.525 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 4.2 Cg_exo -74.56 111.35 3.29 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.997 2.465 . . . . 0.0 111.576 177.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.518 ' HB3' ' HB3' ' A' ' 111' ' ' SER . 45.0 tt0 -91.03 -71.0 0.65 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 -176.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -152.7 158.82 42.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.114 0.483 . . . . 0.0 111.814 -176.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 39.6 mt -102.91 138.89 39.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.392 176.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.7 p -139.66 131.0 26.78 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 176.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.54 135.36 50.66 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.861 0.363 . . . . 0.0 110.269 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -130.21 136.98 49.82 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.023 -173.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.79 135.56 45.94 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.696 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 60.4 tp -89.18 138.77 31.13 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.151 -177.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.75 138.74 97.0 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 174.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.98 -24.45 76.47 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.907 2.404 . . . . 0.0 112.634 -176.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -84.66 -8.28 58.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.75 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.502 ' NH2' ' HA ' ' A' ' 98' ' ' GLU . 2.0 tmt_? 62.33 81.69 0.19 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.467 -176.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 24.8 p -137.25 -57.51 0.71 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.541 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -140.52 177.89 7.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.334 0.588 . . . . 0.0 110.677 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.487 ' HE1' ' CD2' ' A' ' 107' ' ' TYR . 89.0 m-85 -112.27 145.5 39.86 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.351 175.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -124.1 136.52 54.29 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.069 0.462 . . . . 0.0 110.55 175.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 134' ' ' ARG . 9.3 tpt180 -57.59 138.47 55.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.12 -177.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -124.7 161.8 25.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.693 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -102.04 148.1 25.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.088 0.471 . . . . 0.0 111.56 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 49.4 mm -97.82 115.07 36.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.275 176.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 1.4 t -120.68 155.01 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.201 0.524 . . . . 0.0 110.503 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 56.8 mtm180 -96.88 137.87 21.34 Favored Pre-proline 0 C--N 1.316 -0.884 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.786 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.48 ' HG3' ' HB3' ' A' ' 2' ' ' LYS . 16.5 Cg_exo -66.76 109.28 1.62 Allowed 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.817 2.344 . . . . 0.0 113.007 -177.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -85.54 102.16 2.32 Favored Pre-proline 0 C--N 1.33 -0.275 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 172.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . 0.451 ' HD3' ' O ' ' A' ' 140' ' ' PRO . 93.3 Cg_endo -83.47 40.79 0.97 Allowed 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.877 2.385 . . . . 0.0 113.321 -169.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -120.41 -16.32 8.41 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.91 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.407 ' HA ' ' HD3' ' A' ' 145' ' ' PRO . . . -74.72 126.63 88.3 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.435 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 144' ' ' ALA . 21.5 Cg_exo -64.1 136.99 54.77 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.563 2.175 . . . . 0.0 112.002 179.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.58 ' HB3' ' OD2' ' A' ' 33' ' ' ASP . 80.7 mt -91.36 -164.01 1.12 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.2 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.78 142.81 27.55 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.914 0.387 . . . . 0.0 110.725 -178.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -90.44 7.44 38.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.327 -170.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -64.08 150.08 46.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.866 0.365 . . . . 0.0 111.006 176.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -101.54 123.97 46.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.178 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.407 ' O ' ' HB2' ' A' ' 152' ' ' HIS . 31.9 m80 -81.84 153.59 26.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.668 -175.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 151' ' ' HIS . 9.2 t-80 173.98 -31.78 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.57 177.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 . . . . . 0 C--O 1.251 1.163 0 CA-C-O 118.039 -0.981 . . . . 0.0 109.961 174.187 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ttt . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.739 0.305 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.507 ' HD2' HG21 ' A' ' 138' ' ' VAL . 0.1 OUTLIER -107.35 137.21 45.82 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 178.892 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.9 t -153.86 173.04 16.44 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.507 -176.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.438 ' HB ' ' HD2' ' A' ' 5' ' ' PRO . 40.0 p -120.04 163.8 26.05 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.918 -177.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.438 ' HD2' ' HB ' ' A' ' 4' ' ' THR . 32.6 Cg_exo -56.44 -34.53 94.86 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.123 2.549 . . . . 0.0 111.81 177.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -54.03 -46.1 71.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.971 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.46 ' O ' HG13 ' A' ' 11' ' ' ILE . 48.6 mm -75.65 -42.54 41.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.648 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.3 mt -56.39 -43.21 79.07 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.548 -178.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.429 ' O ' HG22 ' A' ' 13' ' ' VAL . 9.5 t70 -63.29 -45.37 91.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.734 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -60.74 -41.94 96.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.533 177.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 7' ' ' ILE . 83.6 mt -59.42 -50.08 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.134 0 CA-C-N 116.735 -0.211 . . . . 0.0 111.219 -179.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -66.11 -33.08 74.97 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.258 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 9' ' ' ASP . 73.5 t -69.05 -47.27 76.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.913 0.387 . . . . 0.0 110.356 176.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -65.74 -27.66 68.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.045 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.01 -45.04 96.93 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.991 173.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.9 -33.48 66.04 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.281 0.562 . . . . 0.0 110.619 177.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -61.7 -36.36 80.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.085 175.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.24 26.95 1.3 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.744 -1.117 . . . . 0.0 111.82 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.523 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -103.69 147.74 34.71 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 176.511 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.523 ' HA ' ' CG ' ' A' ' 19' ' ' TYR . 11.5 Cg_exo -71.09 -20.8 11.97 Favored 'Cis proline' 0 C--N 1.351 0.671 0 C-N-CA 123.984 -1.257 . . . . 0.0 113.404 2.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -167.79 175.02 7.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.553 0.216 . . . . 0.0 111.036 176.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 70.05 129.67 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 O-C-N 124.283 0.99 . . . . 0.0 111.09 -175.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.5 0.94 2.26 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -175.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.3 m -65.9 150.85 47.94 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.91 -164.53 14.5 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.941 -177.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -107.89 152.56 24.25 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.972 0.415 . . . . 0.0 110.989 -174.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.0 mt -94.35 126.75 39.8 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.678 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.5 mt -104.58 131.49 51.93 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.144 0.497 . . . . 0.0 110.227 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.25 -159.41 22.36 Favored Glycine 0 N--CA 1.441 -1.008 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.84 150.55 48.36 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.987 0.422 . . . . 0.0 111.584 179.033 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.602 HG13 ' H ' ' A' ' 33' ' ' ASP . 59.7 t -89.73 134.2 29.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 174.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 33' ' ' ASP . 30.2 p -87.35 3.08 48.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.972 0.415 . . . . 0.0 111.954 -173.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.602 ' H ' HG13 ' A' ' 31' ' ' VAL . 38.1 m-20 73.68 -11.54 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 123.941 0.896 . . . . 0.0 111.942 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' A' ' 32' ' ' THR . 12.2 m-20 -69.74 -22.07 63.4 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.435 0.635 . . . . 0.0 109.48 174.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.56 -14.47 8.14 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.97 -176.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -97.86 167.93 10.62 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 120.876 0.37 . . . . 0.0 110.029 -178.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.486 HD21 ' HB ' ' A' ' 79' ' ' VAL . 20.3 p-10 -132.53 128.9 38.29 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.177 -177.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -105.76 143.39 33.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.271 0.557 . . . . 0.0 110.099 -178.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.6 t -101.98 123.32 55.11 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.985 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.52 -30.22 7.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.538 -176.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -148.04 169.59 19.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.991 0.424 . . . . 0.0 110.835 -178.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.6 mt -121.16 147.43 45.59 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.356 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -118.12 122.09 42.19 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.001 0.429 . . . . 0.0 109.997 174.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.1 mtt180 -96.12 137.63 34.91 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.276 -178.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.22 69.26 2.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.28 0.562 . . . . 0.0 110.436 177.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 47' ' ' ASN . 13.6 t -165.3 142.45 5.79 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.856 178.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 46' ' ' THR . 63.0 t30 174.63 117.07 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.093 -178.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -86.24 -51.06 6.51 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.094 0.473 . . . . 0.0 109.757 -176.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 46.9 mtt85 -156.59 156.53 33.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.895 177.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.4 t -59.67 -59.23 5.77 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 123.453 0.471 . . . . 0.0 110.878 -179.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -177.12 -76.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -177.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -161.13 70.49 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.275 171.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.86 92.94 4.38 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.033 174.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.9 m -67.42 109.49 3.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.1 -177.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.978 ' HD2' ' HB3' ' A' ' 58' ' ' GLU . 11.9 ptp85 -138.31 168.58 19.46 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.604 -178.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.5 mtp180 -96.31 -28.23 14.59 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 177.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -119.37 103.53 9.55 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.839 -0.345 . . . . 0.0 111.799 -171.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.978 ' HB3' ' HD2' ' A' ' 55' ' ' ARG . 11.7 pt-20 -148.26 125.96 11.83 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.299 0.571 . . . . 0.0 110.159 171.187 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 97.8 mt -102.08 -38.25 7.81 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.164 177.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.5 m 58.61 33.22 22.92 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 122.024 0.916 . . . . 0.0 109.862 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -99.48 145.14 27.78 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.346 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.1 t70 74.76 117.27 0.06 Allowed 'General case' 0 N--CA 1.467 0.395 0 O-C-N 124.339 1.024 . . . . 0.0 110.7 -177.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -79.51 -22.58 43.77 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.433 -175.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -66.61 -44.88 80.92 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.416 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -59.74 -36.87 77.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.275 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.24 -36.92 74.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.638 177.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.92 -40.7 87.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.094 0.473 . . . . 0.0 109.918 176.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -58.6 -46.24 87.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.06 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.554 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -59.56 -53.67 55.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.941 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.81 -33.43 75.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.96 0.41 . . . . 0.0 110.82 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.02 -49.47 72.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.866 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 3.5 pt20 -68.49 -32.07 71.79 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.51 -179.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.554 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 48.6 mt-10 -61.64 -43.82 98.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.181 0.515 . . . . 0.0 111.18 175.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -83.13 -26.3 31.11 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.06 -177.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.57 33.23 7.23 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.367 -176.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.2 mt -121.47 174.65 6.63 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -132.79 173.83 10.96 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.2 t -84.6 102.65 10.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -178.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.486 ' HB ' HD21 ' A' ' 37' ' ' ASN . 29.9 m -87.51 -9.82 10.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.624 -176.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.427 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . 168.19 -169.06 41.25 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.178 -1.01 . . . . 0.0 112.924 179.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.9 t -136.32 151.38 28.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -178.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -123.66 143.38 50.29 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.581 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -133.22 149.68 51.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.918 -175.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.2 m -105.64 128.81 53.85 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.246 178.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -110.54 150.49 41.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.87 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.83 -162.82 0.05 OUTLIER 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 123.509 2.806 . . . . 0.0 112.843 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -73.34 49.31 0.27 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.726 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 11.6 m80 -147.58 165.73 17.94 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.016 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -45.49 147.19 2.85 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 123.48 2.787 . . . . 0.0 114.174 -176.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.14 14.27 11.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.698 -176.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -77.58 147.82 75.67 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 175.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -59.87 127.52 23.7 Favored 'Trans proline' 0 N--CA 1.463 -0.266 0 C-N-CA 122.839 2.359 . . . . 0.0 112.508 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.8 t -82.24 -173.16 4.38 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 175.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.75 -42.56 89.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.756 0.313 . . . . 0.0 110.549 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.6 m -69.63 -41.9 75.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.189 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.04 -41.54 88.09 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 176.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.67 -45.74 88.76 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.992 177.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.22 -30.5 69.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.584 -0.734 . . . . 0.0 112.02 -176.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -82.7 -16.2 49.02 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.917 0.339 . . . . 0.0 111.917 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.411 ' HB1' HD22 ' A' ' 125' ' ' LEU . . . -77.13 78.4 3.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.239 0.542 . . . . 0.0 110.691 178.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.3 m -105.69 -17.33 14.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.965 -179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -109.41 88.79 6.46 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.183 0.516 . . . . 0.0 111.768 -174.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -71.96 162.23 42.47 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.597 2.198 . . . . 0.0 112.091 -177.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 106.77 -13.19 42.07 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.066 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.427 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 97.0 m-85 -109.55 148.19 31.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.858 0.361 . . . . 0.0 110.512 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.1 m -92.25 125.15 36.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.012 177.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -97.27 108.85 21.66 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.427 ' HA ' ' HA ' ' A' ' 122' ' ' ALA . 60.0 t -96.83 114.98 35.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 177.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.5 mt -113.71 128.69 70.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.999 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.3 p -109.61 135.87 47.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.054 0.454 . . . . 0.0 111.153 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.8 m -90.49 109.84 20.97 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.531 175.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 31.2 t -105.78 117.05 50.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.869 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.441 ' C ' ' H ' ' A' ' 115' ' ' GLY . 20.2 mtp180 -98.02 91.02 5.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.191 -176.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.519 ' HA ' ' HE2' ' A' ' 19' ' ' TYR . 38.4 t70 70.7 -12.54 0.54 Allowed 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.865 177.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 113' ' ' ARG . . . 151.06 -20.56 0.97 Allowed Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 110.374 -1.09 . . . . 0.0 110.374 -177.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -96.91 108.99 46.8 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.342 -0.429 . . . . 0.0 110.787 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 11.5 Cg_exo -71.26 117.01 4.93 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.655 2.237 . . . . 0.0 111.344 177.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -75.37 -64.15 1.13 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.008 0.432 . . . . 0.0 109.963 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -149.94 156.56 41.95 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.344 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.411 HD23 ' C ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -119.5 139.94 51.29 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 175.391 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 22.5 p -124.72 145.72 49.54 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.87 -177.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' A' ' 108' ' ' VAL . . . -109.06 148.49 30.73 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.503 ' HB3' ' HD2' ' A' ' 132' ' ' PHE . 85.6 m95 -136.35 134.9 38.36 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.319 -174.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -105.22 126.69 52.37 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.182 174.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.411 HD22 ' HB1' ' A' ' 100' ' ' ALA . 57.1 tp -81.53 133.11 35.34 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.022 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.57 135.97 94.3 Favored Pre-proline 0 N--CA 1.45 -0.448 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 174.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -51.48 -33.59 47.98 Favored 'Trans proline' 0 N--CA 1.474 0.325 0 C-N-CA 123.148 2.565 . . . . 0.0 113.152 -174.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -84.68 6.61 23.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.538 -176.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? 64.05 19.11 11.61 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.496 0.498 . . . . 0.0 110.437 -176.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.4 p -72.59 -49.97 28.66 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.28 -173.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -154.08 179.85 8.54 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.091 0.472 . . . . 0.0 111.055 -175.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.503 ' HD2' ' HB3' ' A' ' 123' ' ' TRP . 11.6 m-85 -108.37 147.29 31.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.611 175.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -124.55 140.05 53.3 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 173.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -82.1 144.26 30.91 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 121.475 0.655 . . . . 0.0 112.054 -172.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -124.68 153.98 41.49 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.692 -1.14 . . . . 0.0 108.433 175.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -122.75 179.43 4.63 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 -177.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 49.6 mm -93.5 114.06 29.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.085 0.469 . . . . 0.0 110.061 -178.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.507 HG21 ' HD2' ' A' ' 2' ' ' LYS . 0.2 OUTLIER -125.47 142.5 42.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.33 -179.043 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 57.5 mtp85 -79.56 148.23 69.29 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.2 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.438 ' HG3' ' HB3' ' A' ' 2' ' ' LYS . 4.9 Cg_exo -74.17 94.17 0.9 Allowed 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 122.296 1.997 . . . . 0.0 110.523 169.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -123.95 114.37 28.09 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.277 -177.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -86.09 30.92 0.48 Allowed 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 123.033 2.489 . . . . 0.0 113.358 -174.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -112.89 -5.56 13.84 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.44 177.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -72.85 124.2 90.45 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.955 175.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -63.78 133.12 37.68 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.415 2.077 . . . . 0.0 112.341 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.56 144.91 45.87 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.779 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.48 146.08 31.56 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.478 -177.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.01 85.23 2.38 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.736 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -63.45 117.61 6.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.853 -177.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -114.73 107.35 15.34 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.462 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -122.13 43.07 2.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.691 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -70.03 -13.38 62.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.599 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.24 -0.886 . . . . 0.0 109.402 173.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.505 ' HE3' HG23 ' A' ' 39' ' ' VAL . 24.4 ttt . . . . . 0 N--CA 1.479 1.0 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 138' ' ' VAL . 4.5 mptp? -106.26 117.88 35.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.723 0.297 . . . . 0.0 110.918 177.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.8 t -161.03 173.83 14.65 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 174.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.0 p -102.37 148.08 34.92 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.621 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.03 -29.09 63.29 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.499 2.799 . . . . 0.0 112.85 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -55.27 -43.95 75.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.864 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.509 ' O ' HG13 ' A' ' 11' ' ' ILE . 49.5 mm -67.91 -42.0 85.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.422 179.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.537 HD13 HG23 ' A' ' 137' ' ' ILE . 92.7 mt -57.46 -41.71 81.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.772 178.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.664 ' HA ' HH11 ' A' ' 12' ' ' ARG . 15.5 t70 -64.11 -44.43 92.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.099 179.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -61.78 -31.17 71.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.88 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 7' ' ' ILE . 75.9 mt -62.46 -46.89 95.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.133 0.492 . . . . 0.0 109.948 175.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.664 HH11 ' HA ' ' A' ' 9' ' ' ASP . 21.3 mtp-105 -64.26 -39.25 93.56 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.03 178.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 9' ' ' ASP . 95.2 t -64.68 -47.2 89.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.57 176.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.566 ' HA ' ' HB3' ' A' ' 17' ' ' ASP . 28.7 m-70 -65.54 -27.31 68.35 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.528 ' HA3' HG23 ' A' ' 112' ' ' VAL . . . -61.15 -44.44 98.14 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.375 -0.917 . . . . 0.0 111.455 173.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.19 -29.81 63.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.226 0.536 . . . . 0.0 110.507 175.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.566 ' HB3' ' HA ' ' A' ' 14' ' ' HIS . 17.4 t70 -58.64 -37.4 75.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.284 176.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.29 97.45 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.029 177.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.618 ' OH ' ' HA ' ' A' ' 86' ' ' PRO . 25.3 m-85 -55.73 140.5 67.39 Favored Pre-proline 0 N--CA 1.464 0.235 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.9 -178.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -88.93 -2.21 62.41 Favored 'Cis proline' 0 CA--C 1.533 0.433 0 C-N-CA 123.775 -1.344 . . . . 0.0 113.293 0.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -78.28 173.2 12.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.175 0.512 . . . . 0.0 111.815 -174.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -89.83 129.44 36.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.23 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -163.29 105.24 0.25 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.2 -1.0 . . . . 0.0 113.194 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.2 p -102.22 -177.36 3.38 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 173.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -173.5 175.18 46.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 119.348 -1.406 . . . . 0.0 113.758 176.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.554 ' HB2' ' HE1' ' A' ' 43' ' ' HIS . 29.2 m-85 -120.39 157.4 29.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.3 -0.45 . . . . 0.0 110.463 -178.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 75.0 mt -95.01 131.17 41.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.338 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.7 mt -108.62 137.4 46.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.115 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.44 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . -173.25 -157.74 15.76 Favored Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -178.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.4 HG23 HD22 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -135.65 145.71 47.09 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 117.456 0.628 . . . . 0.0 112.005 178.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.552 HG12 ' H ' ' A' ' 33' ' ' ASP . 58.2 t -92.28 134.22 31.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 172.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.495 ' C ' ' H ' ' A' ' 34' ' ' ASP . 39.1 p -70.61 2.9 3.53 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -176.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.552 ' H ' HG12 ' A' ' 31' ' ' VAL . 32.5 t70 75.37 -28.55 0.19 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.925 0.89 . . . . 0.0 110.722 -177.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.495 ' H ' ' C ' ' A' ' 32' ' ' THR . 14.6 t70 -77.91 -35.65 50.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.899 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.28 -11.31 0.76 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.28 -0.962 . . . . 0.0 112.539 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -86.7 148.1 25.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.656 0.265 . . . . 0.0 110.302 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -122.32 134.01 54.66 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 173.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.44 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 10.7 ptm180 -115.97 145.48 42.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.399 0.618 . . . . 0.0 110.093 173.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.505 HG23 ' HE3' ' A' ' 1' ' ' MET . 52.7 t -98.13 120.67 47.75 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.104 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.113 178.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.98 -30.73 7.39 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.297 -0.411 . . . . 0.0 112.048 -172.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -149.1 145.41 27.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.421 0.629 . . . . 0.0 112.124 -176.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.4 mt -103.64 145.14 30.5 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 173.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.554 ' HE1' ' HB2' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -133.46 135.74 44.7 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.026 -0.67 . . . . 0.0 110.831 179.897 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -93.98 135.14 35.63 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.9 175.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.13 105.17 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.83 0.348 . . . . 0.0 110.63 170.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 19.0 m -153.48 131.23 11.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.161 0.505 . . . . 0.0 110.908 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 27.2 p30 -158.64 152.89 23.99 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.914 176.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.9 mmm-85 -137.72 -8.49 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.847 0.356 . . . . 0.0 111.106 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -148.17 123.07 10.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.988 -171.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.3 m -70.34 132.72 46.09 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 170.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.12 147.68 42.49 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.09 0.472 . . . . 0.0 111.619 -171.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.547 ' O ' ' HB2' ' A' ' 53' ' ' ARG . 6.3 tp-100 -82.97 155.51 23.96 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 169.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.547 ' HB2' ' O ' ' A' ' 52' ' ' GLN . 51.5 mtt180 70.7 -179.43 0.23 Allowed 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.334 0.396 . . . . 0.0 110.24 -173.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.9 m 48.35 44.43 20.08 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.364 177.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -81.0 79.96 7.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.698 0.761 . . . . 0.0 111.966 -173.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.501 ' O ' HD23 ' A' ' 59' ' ' LEU . 1.9 mpt_? -122.3 93.32 3.94 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.491 171.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 25.2 p90 -70.88 143.05 51.14 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.322 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 56.63 84.43 0.09 Allowed 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.781 0.675 . . . . 0.0 111.723 -175.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 56' ' ' ARG . 2.6 pt? -136.78 -41.68 0.6 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.513 176.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.1 p -147.7 151.87 36.86 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.276 177.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.444 ' O ' ' HG3' ' A' ' 65' ' ' ARG . . . -65.58 159.34 24.9 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.094 0.246 . . . . 0.0 110.83 178.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -67.04 162.7 21.56 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.0 t70 71.33 -51.21 0.69 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.85 0.86 . . . . 0.0 110.914 -171.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -58.67 -39.63 81.19 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 177.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 61' ' ' ALA . 40.5 mtp-105 -55.83 -49.15 74.07 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.454 176.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.58 -33.96 76.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.593 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.458 ' HB1' ' CE1' ' A' ' 43' ' ' HIS . . . -64.46 -43.94 92.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.193 177.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -68.24 -43.21 78.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.184 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.524 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -61.34 -52.61 63.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.198 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.64 -32.25 73.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.349 . . . . 0.0 110.621 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.56 -52.14 64.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.53 177.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -67.48 -31.49 71.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.585 0.231 . . . . 0.0 111.317 -178.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 38.5 mt-10 -61.97 -37.03 83.23 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.345 0.593 . . . . 0.0 111.064 175.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -92.19 -10.98 36.74 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.843 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.38 32.82 41.45 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.61 -175.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.4 HD22 HG23 ' A' ' 30' ' ' THR . 81.1 mt -118.29 179.68 4.04 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 123.27 0.628 . . . . 0.0 110.011 -179.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -139.74 178.11 7.47 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 174.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.4 t -89.65 101.16 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.812 0.339 . . . . 0.0 110.168 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.0 m -87.44 -15.98 9.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.982 -175.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.547 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -178.05 -169.91 39.55 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 119.868 -1.158 . . . . 0.0 113.416 -179.133 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 t -135.85 156.16 37.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 41.4 p90 -126.53 140.02 52.77 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.413 175.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -129.08 137.46 51.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.002 -178.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.4 p -116.81 126.69 53.45 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 173.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 56.8 m170 -88.97 141.2 29.38 Favored Pre-proline 0 C--N 1.325 -0.489 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.118 178.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.618 ' HA ' ' OH ' ' A' ' 19' ' ' TYR . 60.0 Cg_endo -99.03 -3.18 0.83 Allowed 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 123.405 2.737 . . . . 0.0 113.985 -177.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -130.01 -71.9 0.59 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.166 0.508 . . . . 0.0 111.013 -173.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -90.23 162.67 34.09 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.479 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.469 ' HA ' ' OG ' ' A' ' 111' ' ' SER . 38.8 Cg_exo -63.21 -163.76 0.05 OUTLIER 'Trans proline' 0 CA--C 1.534 0.512 0 C-N-CA 123.179 2.586 . . . . 0.0 114.124 -177.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.465 ' O ' ' HB3' ' A' ' 91' ' ' ARG . . . -67.8 -174.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.495 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.576 ' HG3' ' HD2' ' A' ' 92' ' ' PRO . 7.6 ttp180 66.89 141.26 0.07 OUTLIER Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.691 -172.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.576 ' HD2' ' HG3' ' A' ' 91' ' ' ARG . 28.4 Cg_endo -63.97 135.77 49.39 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.587 2.191 . . . . 0.0 113.293 -178.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.4 m -80.01 -177.11 5.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.062 173.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.638 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -62.71 -50.44 71.11 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.295 0.479 . . . . 0.0 112.295 -173.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.4 m -80.47 -32.25 37.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.046 0.451 . . . . 0.0 110.444 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -55.62 -41.51 73.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.873 173.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.615 ' HG ' ' HE1' ' A' ' 132' ' ' PHE . 8.4 tt -69.7 -44.03 71.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.528 176.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.638 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 53.3 mt-10 -59.1 -37.0 76.12 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.18 -175.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -79.35 4.96 13.73 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -176.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.495 ' HB3' HD23 ' A' ' 125' ' ' LEU . . . -77.76 76.18 4.29 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.414 0.626 . . . . 0.0 109.605 173.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 15.3 t -100.68 -5.23 26.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.91 -175.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -120.11 85.76 36.1 Favored Pre-proline 0 C--N 1.316 -0.858 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.024 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.538 ' HA ' ' OH ' ' A' ' 107' ' ' TYR . 6.0 Cg_exo -78.42 172.04 15.92 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.372 2.714 . . . . 0.0 112.577 -178.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 100.34 10.39 44.93 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.901 -0.666 . . . . 0.0 113.019 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.547 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 84.3 m-85 -122.26 162.95 20.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.711 0.291 . . . . 0.0 111.044 -178.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 37.6 m -92.15 116.97 29.4 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 170.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.538 ' OH ' ' HA ' ' A' ' 103' ' ' PRO . 30.9 m-85 -99.3 108.51 21.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.696 0.284 . . . . 0.0 110.565 -174.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 82' ' ' TYR . 58.2 t -97.1 115.31 36.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.485 HD11 ' HD3' ' A' ' 92' ' ' PRO . 65.5 mt -110.08 118.25 56.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.685 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.3 p -108.07 138.55 34.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.532 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.528 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 22.4 t -93.14 109.71 21.2 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.088 176.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.528 HG23 ' HA3' ' A' ' 15' ' ' GLY . 79.1 t -126.9 116.31 44.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -114.49 103.51 11.11 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.023 0.44 . . . . 0.0 110.685 -171.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.403 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 56.1 t0 49.53 57.87 6.03 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.857 -178.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 84.47 -6.45 76.92 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.611 -0.722 . . . . 0.0 113.461 175.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -106.48 109.06 62.87 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 117.12 0.46 . . . . 0.0 111.58 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.43 ' HB3' ' HB3' ' A' ' 12' ' ' ARG . 17.3 Cg_exo -68.53 120.62 7.55 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.866 2.377 . . . . 0.0 111.437 175.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.528 ' HB3' ' HB3' ' A' ' 111' ' ' SER . 44.5 tt0 -94.34 -69.5 0.75 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.245 -174.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -150.54 155.37 39.32 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.939 0.4 . . . . 0.0 111.933 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 28.4 mt -105.29 141.41 36.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.05 175.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 25.7 p -140.82 130.51 24.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.142 173.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -110.19 135.04 51.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.886 0.374 . . . . 0.0 110.413 178.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.427 ' CZ3' ' HB2' ' A' ' 134' ' ' ARG . 62.5 m95 -133.49 145.34 50.1 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.424 0.631 . . . . 0.0 112.062 -171.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -112.56 127.96 56.22 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.033 169.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 126' ' ' ALA . 54.7 tp -81.65 140.25 34.5 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.757 0.313 . . . . 0.0 110.624 -177.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.518 ' O ' ' HG ' ' A' ' 125' ' ' LEU . . . -65.5 141.48 97.98 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 171.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.24 -24.81 43.66 Favored 'Trans proline' 0 N--CA 1.473 0.298 0 C-N-CA 122.746 2.298 . . . . 0.0 112.819 -176.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -106.33 12.72 29.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.086 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.425 ' HA ' HD11 ' A' ' 125' ' ' LEU . 38.3 ptt180 44.41 44.52 6.97 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.443 1.097 . . . . 0.0 113.15 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 62.1 m -81.48 -25.44 36.03 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.377 172.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -171.55 177.11 3.55 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.173 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.615 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 51.6 m-85 -110.97 153.39 25.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.248 172.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -123.34 132.77 54.1 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 175.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.427 ' HB2' ' CZ3' ' A' ' 123' ' ' TRP . 59.9 ttt-85 -79.66 142.35 35.63 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.837 -174.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -133.93 150.46 51.31 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 175.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -103.7 162.59 12.95 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -176.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.537 HG23 HD13 ' A' ' 8' ' ' LEU . 3.1 mp -85.77 119.03 33.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 121.001 0.429 . . . . 0.0 110.313 -177.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.53 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -109.16 145.42 15.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.401 176.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 27.8 mtm180 -74.58 144.54 80.79 Favored Pre-proline 0 C--N 1.318 -0.766 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.365 -176.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.615 ' O ' ' HD3' ' A' ' 142' ' ' PRO . 33.6 Cg_exo -61.31 137.97 73.9 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.546 2.164 . . . . 0.0 111.361 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -91.13 97.1 1.17 Allowed Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . 0.615 ' HD3' ' O ' ' A' ' 140' ' ' PRO . 92.9 Cg_endo -99.86 30.28 0.11 Allowed 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 123.357 2.704 . . . . 0.0 112.922 -171.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -115.53 -6.34 12.24 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.187 -177.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -86.56 144.29 37.38 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.632 175.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -51.67 132.84 42.66 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.562 2.174 . . . . 0.0 111.94 178.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.33 179.14 5.35 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.493 -173.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.96 154.58 26.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.224 177.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -74.22 -5.35 41.45 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.729 0.3 . . . . 0.0 110.325 -176.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 76.87 98.07 0.07 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.894 0.878 . . . . 0.0 111.379 174.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -79.61 89.86 5.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.269 177.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -155.45 116.05 3.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.176 178.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -77.09 116.13 17.47 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.571 -0.452 . . . . 0.0 109.988 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 . . . . . 0 C--O 1.245 0.831 0 CA-C-N 114.891 -1.049 . . . . 0.0 110.46 -172.405 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.605 ' HA ' ' O ' ' A' ' 36' ' ' ASP . 20.4 ttt . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 120.812 0.339 . . . . 0.0 110.742 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.452 ' HD2' ' HB ' ' A' ' 138' ' ' VAL . 0.3 OUTLIER -115.69 144.56 43.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.394 177.731 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.552 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 11.2 t -157.02 149.91 23.66 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.508 HG23 ' HG3' ' A' ' 140' ' ' PRO . 40.9 p -81.44 148.69 63.32 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-O 120.718 0.294 . . . . 0.0 111.2 -175.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.14 -27.43 84.87 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.543 2.162 . . . . 0.0 110.564 175.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.477 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 12.5 t0 -56.26 -49.77 73.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.969 174.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.554 ' O ' HG13 ' A' ' 11' ' ' ILE . 29.8 mm -68.06 -45.23 83.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.721 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 89.8 mt -57.43 -42.47 82.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.791 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -69.28 -38.88 78.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.156 0.503 . . . . 0.0 110.306 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 47.3 mt-30 -61.68 -38.6 88.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.127 175.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.554 HG13 ' O ' ' A' ' 7' ' ' ILE . 74.8 mt -63.82 -49.41 82.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 120.67 0.271 . . . . 0.0 111.176 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 12' ' ' ARG . 1.6 ptm180 -63.75 -37.63 88.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.97 -178.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.4 t -69.51 -40.41 79.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.909 0.385 . . . . 0.0 110.208 175.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -58.24 -35.55 71.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.49 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.24 -49.16 80.8 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.076 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.03 -26.69 62.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.98 0.419 . . . . 0.0 111.119 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -74.93 -38.88 61.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.219 -178.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.93 -34.3 26.59 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.746 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.537 ' HA ' ' N ' ' A' ' 21' ' ' GLU . 6.7 m-85 -69.47 162.35 67.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.073 -176.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.435 ' HA ' ' HB3' ' A' ' 19' ' ' TYR . 15.2 Cg_exo -68.56 -4.73 6.83 Favored 'Cis proline' 0 C--N 1.353 0.8 0 N-CA-C 114.601 0.962 . . . . 0.0 114.601 7.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.537 ' N ' ' HA ' ' A' ' 19' ' ' TYR . 28.8 mt-10 -73.96 135.75 43.22 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 176.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -75.06 89.28 2.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.01 0.433 . . . . 0.0 110.059 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.61 110.57 3.16 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.988 177.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.4 p -99.43 -179.84 4.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.689 0.281 . . . . 0.0 110.577 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 170.63 -157.98 29.42 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.171 -1.014 . . . . 0.0 112.837 177.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.47 ' HB2' ' HD1' ' A' ' 43' ' ' HIS . 95.3 m-85 -134.84 165.18 25.89 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -176.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.3 mt -114.85 134.21 55.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.393 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.545 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . 74.1 mt -116.16 144.52 44.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.887 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 175.02 -153.12 14.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 119.781 -1.2 . . . . 0.0 112.948 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.31 146.42 44.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.198 0.523 . . . . 0.0 111.397 -177.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.2 t -96.32 110.29 24.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.339 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.09 137.75 57.27 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.956 177.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.54 -22.63 65.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.029 0.442 . . . . 0.0 111.12 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -74.16 -18.56 60.76 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.175 178.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.76 25.25 27.99 Favored Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -172.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.605 ' O ' ' HA ' ' A' ' 1' ' ' MET . 12.7 t70 -79.82 -48.36 13.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.209 -0.495 . . . . 0.0 111.322 -176.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.777 HD22 ' HB ' ' A' ' 79' ' ' VAL . 26.3 t-20 78.08 112.89 0.07 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.881 0.872 . . . . 0.0 111.273 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -115.94 109.65 17.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.819 -178.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.0 t -86.92 123.79 40.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.69 -7.2 6.8 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -174.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.545 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . . . -144.38 143.3 30.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.974 0.416 . . . . 0.0 111.232 -178.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.6 mt -101.6 154.82 18.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.715 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.47 ' HD1' ' HB2' ' A' ' 26' ' ' PHE . 12.6 t-80 -134.47 119.46 18.55 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.058 0.456 . . . . 0.0 110.468 174.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -83.93 138.33 33.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.551 174.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.76 108.27 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.142 0.496 . . . . 0.0 110.84 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.9 m -83.13 -3.7 57.61 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 122.156 0.979 . . . . 0.0 108.709 178.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.498 ' HB3' ' H ' ' A' ' 48' ' ' ARG . 19.5 m-80 65.31 -158.4 0.28 Allowed 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 113.849 -1.523 . . . . 0.0 112.246 175.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.581 ' HD2' ' N ' ' A' ' 48' ' ' ARG . 5.2 mpt_? -85.91 90.99 8.23 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.445 -169.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -137.02 109.66 7.5 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.015 174.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.7 t -161.44 125.47 3.35 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.007 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -41.92 95.7 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 173.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 67.23 164.97 0.21 Allowed 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.989 172.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 64.36 39.1 7.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.471 0.653 . . . . 0.0 111.262 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.42 HG21 ' HG2' ' A' ' 56' ' ' ARG . 9.0 t -106.85 18.78 21.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.884 0.85 . . . . 0.0 108.798 174.007 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 61.82 79.7 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.122 -1.399 . . . . 0.0 111.567 -175.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.42 ' HG2' HG21 ' A' ' 54' ' ' THR . 14.1 ptm180 -178.98 -174.98 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.482 -1.235 . . . . 0.0 107.754 173.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -63.59 149.27 46.75 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.563 0.697 . . . . 0.0 111.462 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -82.27 -164.54 0.84 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.994 -175.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.421 HD22 ' HG3' ' A' ' 48' ' ' ARG . 49.4 tp -60.41 -44.29 95.88 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 175.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.8 m 60.31 78.03 0.3 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 114.839 -1.073 . . . . 0.0 112.765 170.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 58.51 97.27 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.816 173.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.4 t70 68.21 -161.61 0.2 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.977 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -87.64 63.7 7.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.543 0.687 . . . . 0.0 111.194 -175.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -71.12 -40.44 71.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.514 173.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -57.15 -48.6 78.29 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -172.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.44 -27.5 64.3 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.629 -178.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.75 -44.28 70.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.285 175.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.575 ' O ' ' HG2' ' A' ' 72' ' ' GLN . 14.3 t70 -64.71 -47.51 78.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.54 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -58.52 -53.43 58.39 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.469 -178.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.37 -32.66 74.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 110.843 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.471 ' HB3' HD21 ' A' ' 28' ' ' LEU . . . -63.95 -49.02 74.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.361 175.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 74.8 mm-40 -61.02 -39.58 90.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 110.661 178.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 50.9 mt-10 -57.49 -43.89 84.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.277 177.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -89.14 -4.29 58.34 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.329 -175.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.43 31.7 58.7 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.349 -0.929 . . . . 0.0 111.842 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.8 mt -125.37 -175.11 3.23 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.441 ' HA ' ' HB1' ' A' ' 71' ' ' ALA . 6.5 p-10 -140.41 175.29 9.72 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 171.23 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.9 t -78.89 100.0 3.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.824 -178.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.777 ' HB ' HD22 ' A' ' 37' ' ' ASN . 31.3 m -95.07 -3.96 10.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.676 -174.103 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -171.05 175.48 44.7 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 119.902 -1.142 . . . . 0.0 113.293 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.5 t -137.63 156.25 32.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -133.93 141.98 47.54 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.767 177.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -118.28 139.37 51.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.205 178.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.5 m -106.15 125.93 51.59 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 174.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.481 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 37.7 m170 -125.31 142.09 40.59 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-O 120.825 0.345 . . . . 0.0 110.659 -179.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 9.3 Cg_endo -91.74 129.6 1.14 Allowed 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.445 2.763 . . . . 0.0 113.004 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.44 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 23.2 t70 53.73 73.97 0.35 Allowed 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.851 173.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -154.78 163.26 24.98 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.909 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -70.75 6.9 1.44 Allowed 'Trans proline' 0 N--CA 1.475 0.414 0 C-N-CA 123.282 2.655 . . . . 0.0 113.087 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 67.26 78.35 0.25 Allowed 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 121.808 0.813 . . . . 0.0 110.389 -175.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -163.31 162.39 17.6 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 114.843 -1.071 . . . . 0.0 108.632 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.92 149.06 77.49 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.567 2.178 . . . . 0.0 112.598 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.8 m -94.45 162.91 13.63 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 173.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.643 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -55.65 -47.97 75.77 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -174.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 98.5 m -80.9 -31.42 35.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.656 0.265 . . . . 0.0 111.143 -178.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -60.34 -35.09 74.85 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 174.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.557 ' HG ' ' HE1' ' A' ' 132' ' ' PHE . 8.8 tt -69.4 -45.15 69.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.221 173.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.643 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 47.1 mt-10 -58.01 -40.12 79.98 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.642 -178.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -72.67 -13.82 61.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.87 0.367 . . . . 0.0 111.679 -176.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.23 86.96 4.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.444 0.64 . . . . 0.0 109.764 174.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.6 m -113.92 7.54 16.96 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.395 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -124.63 86.54 55.52 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.354 -177.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.63 160.55 47.57 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.874 2.383 . . . . 0.0 112.183 178.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 112.9 -12.86 24.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.625 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -107.29 144.49 34.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.444 -0.378 . . . . 0.0 110.264 178.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.6 m -91.41 129.34 37.4 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 174.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.477 ' CD2' ' HE2' ' A' ' 132' ' ' PHE . 98.1 m-85 -104.38 117.36 34.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.937 0.399 . . . . 0.0 111.113 -175.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.2 t -106.04 126.11 61.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.91 176.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.4 mt -116.2 126.09 73.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 120.998 0.428 . . . . 0.0 110.422 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.448 ' HB ' HD22 ' A' ' 120' ' ' LEU . 6.9 p -111.76 139.09 37.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.581 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.8 t -100.68 109.65 21.72 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.592 177.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 86' ' ' PRO . 44.3 t -119.29 116.76 51.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 177.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.44 ' HG2' ' HA ' ' A' ' 87' ' ' ASP . 43.2 mtt180 -104.23 80.9 1.76 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.793 -176.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.8 t70 50.71 79.66 0.09 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 114.814 -1.084 . . . . 0.0 111.965 -176.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.523 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 80.61 -15.58 18.69 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.87 -0.681 . . . . 0.0 113.021 177.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -101.04 103.93 28.77 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.712 0.256 . . . . 0.0 111.646 -178.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.523 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 3.3 Cg_exo -77.04 111.59 3.25 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 123.174 2.583 . . . . 0.0 111.05 176.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -83.16 -67.94 0.75 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.365 -174.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -149.3 158.32 44.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.138 0.494 . . . . 0.0 111.669 -176.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.448 HD22 ' HB ' ' A' ' 110' ' ' VAL . 56.4 mt -112.72 122.31 47.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.745 176.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 40.7 p -119.99 131.48 55.17 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.639 0.257 . . . . 0.0 110.827 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.8 133.32 53.27 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.017 0.437 . . . . 0.0 109.829 178.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -126.78 138.75 53.41 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.015 -173.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -105.14 127.76 53.05 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.485 175.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 61.8 tp -83.77 137.72 33.6 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.85 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.58 135.44 63.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.93 175.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -52.87 -36.05 72.85 Favored 'Trans proline' 0 N--CA 1.473 0.312 0 C-N-CA 123.299 2.666 . . . . 0.0 113.361 -174.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -94.65 8.02 43.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.442 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? 63.2 97.12 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.384 0.611 . . . . 0.0 110.602 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 23.0 m -150.09 -48.63 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.424 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -153.62 172.28 17.47 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.053 -177.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.557 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 65.7 m-85 -107.77 147.93 30.17 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.752 177.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -124.87 145.15 49.95 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.127 0.489 . . . . 0.0 110.012 176.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -91.86 139.39 30.71 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.423 -178.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -133.04 163.05 30.1 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 175.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -87.64 147.81 25.1 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 3.4 mp -84.21 125.11 40.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.452 ' HB ' ' HD2' ' A' ' 2' ' ' LYS . 1.0 OUTLIER -109.15 154.83 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.107 0.48 . . . . 0.0 110.421 -177.299 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -80.59 152.8 73.05 Favored Pre-proline 0 C--N 1.317 -0.841 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.67 -178.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.552 ' HD3' ' O ' ' A' ' 3' ' ' THR . 16.7 Cg_endo -56.94 144.73 88.04 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.947 2.432 . . . . 0.0 112.182 -176.308 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -46.87 111.96 1.75 Allowed Pre-proline 0 C--O 1.234 0.255 0 O-C-N 123.918 0.761 . . . . 0.0 111.071 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.01 89.16 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 124.251 3.301 . . . . 0.0 114.624 -165.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.505 ' O ' ' HD3' ' A' ' 145' ' ' PRO . 43.4 mt-10 49.71 31.69 4.58 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.197 175.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -94.86 104.8 15.73 Favored Pre-proline 0 C--N 1.317 -0.846 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.128 178.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.505 ' HD3' ' O ' ' A' ' 143' ' ' GLU . 93.1 Cg_endo -93.88 158.63 2.26 Favored 'Trans proline' 0 N--CA 1.45 -1.044 0 C-N-CA 122.935 2.423 . . . . 0.0 112.848 -178.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.414 HD11 ' N ' ' A' ' 146' ' ' LEU . 6.5 mp -84.82 163.96 18.75 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 175.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.07 106.67 2.45 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 176.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . 0.436 ' O ' ' HB2' ' A' ' 149' ' ' HIS . 12.6 m80 -59.23 -44.31 92.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.894 -173.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . 0.436 ' HB2' ' O ' ' A' ' 148' ' ' HIS . 79.2 m80 68.22 -48.39 0.54 Allowed 'General case' 0 N--CA 1.472 0.635 0 O-C-N 123.574 0.547 . . . . 0.0 111.019 -172.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.435 ' H ' ' C ' ' A' ' 148' ' ' HIS . 3.0 t60 61.97 48.11 5.44 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.485 0.66 . . . . 0.0 109.699 -178.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.434 ' O ' ' HB3' ' A' ' 152' ' ' HIS . 11.1 t-80 -101.55 139.73 36.8 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.121 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.434 ' HB3' ' O ' ' A' ' 151' ' ' HIS . 50.7 t60 71.52 99.59 0.07 Allowed 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.852 0.72 . . . . 0.0 110.613 -177.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.535 -0.745 . . . . 0.0 109.982 174.574 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.57 ' HA ' ' OD1' ' A' ' 36' ' ' ASP . 1.2 tmt? . . . . . 0 N--CA 1.477 0.922 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.493 ' HA ' ' O ' ' A' ' 138' ' ' VAL . 10.8 mptt -127.15 119.27 26.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.036 0.446 . . . . 0.0 111.834 -178.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.442 HG23 HG21 ' A' ' 137' ' ' ILE . 5.2 t -159.09 173.8 15.88 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.144 174.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 26.1 p -97.68 151.97 37.89 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-O 120.634 0.254 . . . . 0.0 110.692 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.64 -29.13 69.13 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.024 2.483 . . . . 0.0 111.65 176.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.34 -45.5 88.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.69 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.488 ' O ' HG13 ' A' ' 11' ' ' ILE . 46.3 mm -64.47 -43.99 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.285 177.118 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.506 HD11 HG23 ' A' ' 137' ' ' ILE . 97.4 mt -56.89 -41.94 78.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.893 179.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.544 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 36.4 t70 -63.73 -45.23 90.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.452 177.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.453 ' NE2' HD11 ' A' ' 7' ' ' ILE . 51.3 mt-30 -56.84 -36.47 70.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.091 176.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 7' ' ' ILE . 75.6 mt -65.25 -50.0 75.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.489 0.185 . . . . 0.0 111.323 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.544 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -65.65 -36.97 85.22 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.797 -0.183 . . . . 0.0 111.307 -178.438 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.4 t -69.28 -44.28 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.971 0.415 . . . . 0.0 110.397 176.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.844 ' HE1' ' HB2' ' A' ' 44' ' ' ARG . 14.8 t-80 -62.73 -31.87 72.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.302 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.26 -38.03 91.38 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.285 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.91 -34.42 66.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.957 0.408 . . . . 0.0 110.096 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -63.68 -38.64 91.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.083 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.85 95.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.343 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -67.18 159.15 78.7 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.047 -178.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.86 -3.28 16.14 Favored 'Cis proline' 0 C--N 1.347 0.458 0 C-N-CA 124.104 -1.207 . . . . 0.0 113.733 4.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -75.26 -174.26 2.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.121 0.486 . . . . 0.0 110.731 177.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -87.4 144.2 26.87 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.671 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.46 ' HA2' ' HD2' ' A' ' 44' ' ' ARG . . . -102.79 -99.07 2.47 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.303 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.8 t 63.8 -176.81 0.16 Allowed 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 121.199 0.524 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 145.1 -176.03 24.36 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.061 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -109.68 150.66 27.94 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.851 0.358 . . . . 0.0 110.54 -176.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.0 mt -97.96 119.18 36.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.506 177.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.526 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 85.9 mt -103.77 132.68 49.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.945 0.402 . . . . 0.0 110.379 -177.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.507 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . 176.94 -147.68 8.51 Favored Glycine 0 N--CA 1.441 -0.991 0 C-N-CA 120.913 -0.66 . . . . 0.0 111.723 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.1 p -136.39 159.2 42.49 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.693 0.282 . . . . 0.0 111.142 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.3 t -89.31 124.65 42.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.1 m -135.15 172.66 12.69 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.867 -170.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.9 t70 74.27 -86.81 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.579 0.752 . . . . 0.0 111.966 171.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -163.77 54.43 0.16 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 122.246 1.022 . . . . 0.0 108.892 178.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.73 33.11 7.23 Favored Glycine 0 C--N 1.311 -0.847 0 CA-C-N 114.055 -1.43 . . . . 0.0 111.42 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.57 ' OD1' ' HA ' ' A' ' 1' ' ' MET . 7.2 t0 -111.9 163.85 13.76 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 176.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -114.95 121.5 43.36 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 121.408 0.623 . . . . 0.0 110.952 -172.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.507 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 57.2 ttt180 -101.87 106.82 17.83 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.132 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 62.0 t -90.56 119.11 37.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.558 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -113.59 -21.84 10.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.838 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.526 ' HB1' ' HB2' ' A' ' 28' ' ' LEU . . . -139.5 154.88 47.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.907 0.384 . . . . 0.0 111.513 -176.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 74.9 mt -122.81 147.43 46.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.387 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -146.59 122.42 10.61 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.844 ' HB2' ' HE1' ' A' ' 14' ' ' HIS . 9.5 ttp180 -84.92 129.71 34.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.177 0.513 . . . . 0.0 110.508 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.22 100.91 10.88 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.89 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.51 95.9 4.82 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.182 0.515 . . . . 0.0 110.454 -178.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.83 73.46 7.51 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-O 121.819 0.819 . . . . 0.0 110.357 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -104.51 -59.77 1.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.592 -1.185 . . . . 0.0 109.97 176.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -113.09 -23.2 10.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.934 -173.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.9 t -80.77 36.47 0.39 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.047 0.451 . . . . 0.0 110.906 -176.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.809 ' HG2' ' HB3' ' A' ' 57' ' ' TYR . 7.4 tm-20 -82.35 -69.58 0.61 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.996 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -78.57 23.03 0.33 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.852 -176.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.411 ' HD3' ' OD2' ' A' ' 62' ' ' ASP . 41.3 ttt180 -66.15 -62.97 1.19 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.065 0.46 . . . . 0.0 110.579 -178.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.0 m -101.69 -33.02 10.03 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.147 -175.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -161.66 -174.81 4.39 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -175.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -80.96 133.74 35.57 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 171.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.809 ' HB3' ' HG2' ' A' ' 51' ' ' GLU . 21.6 p90 -53.75 -43.15 68.92 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -175.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' ' 57' ' ' TYR . 10.8 pt-20 57.69 -47.15 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 125.894 1.678 . . . . 0.0 113.245 -176.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.9 tt -163.68 -43.56 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.9 p -86.29 -169.59 2.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.784 178.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -143.28 172.58 12.55 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 176.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.411 ' OD2' ' HD3' ' A' ' 53' ' ' ARG . 28.3 t70 -88.34 0.45 56.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.892 0.377 . . . . 0.0 111.312 -174.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -57.86 -35.99 71.72 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.141 -178.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -62.92 -45.63 91.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.438 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.2 mtp-105 -64.93 -43.37 92.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.775 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.53 -35.71 81.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.888 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.16 -40.2 78.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.079 176.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.459 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 25.2 t70 -66.78 -44.03 82.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.741 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -60.63 -51.25 70.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.795 179.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.29 -32.8 73.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.899 0.381 . . . . 0.0 110.546 177.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.498 ' HB1' HD23 ' A' ' 28' ' ' LEU . . . -63.52 -48.83 75.93 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.248 175.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 68' ' ' ASP . 65.1 mt-30 -57.99 -41.39 82.92 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.888 0.375 . . . . 0.0 110.47 177.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 53.2 mt-10 -57.31 -39.65 76.24 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.116 177.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -85.72 -18.5 32.9 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.834 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.07 28.58 25.26 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.409 -176.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 72.2 mt -124.6 178.12 5.6 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 122.737 0.415 . . . . 0.0 110.003 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -139.62 -179.33 5.85 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 174.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.9 t -85.15 109.25 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.944 0.402 . . . . 0.0 110.304 -179.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.3 m -102.85 -11.01 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.634 -177.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -172.54 -176.53 41.3 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.041 -1.075 . . . . 0.0 113.035 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' A' ' 107' ' ' TYR . 4.8 t -137.96 157.62 32.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -137.27 140.78 41.83 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.995 176.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -130.17 147.42 51.9 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -176.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.4 p -104.69 128.33 52.72 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.59 0.233 . . . . 0.0 110.464 -176.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 23.8 m170 -108.84 143.75 28.2 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.168 179.082 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 3.5 Cg_exo -81.62 107.66 1.82 Allowed 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 123.052 2.501 . . . . 0.0 111.257 174.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.4 t0 64.65 -158.53 0.3 Allowed 'General case' 0 C--O 1.235 0.318 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 73.5 m80 68.65 164.14 0.13 Allowed Pre-proline 0 C--N 1.323 -0.569 0 C-N-CA 123.397 0.679 . . . . 0.0 112.232 175.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -68.54 5.78 1.16 Allowed 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 123.768 2.978 . . . . 0.0 114.414 -174.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.56 ' HB2' ' HB2' ' A' ' 111' ' ' SER . . . 72.75 12.72 5.27 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 175.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 91' ' ' ARG . 43.3 mtt180 -80.39 154.5 74.24 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 175.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -57.2 143.77 92.46 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 123.085 2.523 . . . . 0.0 113.464 -177.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.3 m -98.86 173.64 6.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.341 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.598 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -66.05 -50.36 64.41 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -172.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.0 m -79.45 -32.92 42.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.318 0.58 . . . . 0.0 109.504 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -56.94 -40.96 77.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.182 177.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.403 ' HA ' ' HE2' ' A' ' 132' ' ' PHE . 6.7 tt -70.36 -43.53 69.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.473 175.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.598 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 69.3 mt-10 -61.47 -26.27 67.79 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -176.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -77.9 -9.17 58.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.678 0.275 . . . . 0.0 111.686 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -91.99 113.79 26.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.844 0.354 . . . . 0.0 110.442 179.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.447 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 1.7 m -128.04 13.4 6.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.023 0.439 . . . . 0.0 111.514 -176.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -115.39 87.19 16.12 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 120.668 0.271 . . . . 0.0 111.524 -178.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.447 ' HD3' ' O ' ' A' ' 101' ' ' THR . 16.4 Cg_exo -68.13 115.31 3.76 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.897 2.398 . . . . 0.0 112.069 179.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 128.87 -24.38 4.84 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.478 -178.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -79.09 148.86 32.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.589 -0.305 . . . . 0.0 110.209 176.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 62.8 m -92.6 122.99 35.56 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 175.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.478 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 58.7 m-85 -103.34 110.66 22.74 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.715 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 84.7 t -95.97 119.87 44.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.213 0.53 . . . . 0.0 110.017 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.1 mt -109.94 118.18 56.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.668 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.634 HG21 ' HG ' ' A' ' 120' ' ' LEU . 7.5 p -105.97 133.22 50.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.491 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.56 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 33.0 t -88.3 109.89 20.32 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.848 178.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.0 t -114.82 115.14 48.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 176.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -87.19 79.07 8.7 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.408 -175.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.4 t70 60.15 25.7 15.05 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.039 176.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 131.66 -23.77 4.19 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.626 179.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -98.11 109.96 54.02 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 122.837 -0.214 . . . . 0.0 111.356 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -65.72 118.48 5.52 Favored 'Trans proline' 0 N--CA 1.463 -0.265 0 C-N-CA 122.452 2.101 . . . . 0.0 111.06 176.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -100.29 -70.39 0.74 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.116 -175.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -134.94 150.49 50.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.961 0.41 . . . . 0.0 111.123 -177.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.634 ' HG ' HG21 ' A' ' 110' ' ' VAL . 5.9 mp -117.32 136.73 52.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.026 179.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 35.1 p -132.36 145.55 51.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.555 0.217 . . . . 0.0 110.49 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -119.24 134.64 55.1 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.0 0.429 . . . . 0.0 110.168 177.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 70.5 m95 -129.3 151.47 49.91 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.982 -174.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -115.85 133.55 55.91 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.354 174.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 54.1 tp -80.13 133.72 36.1 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.98 140.59 61.23 Favored Pre-proline 0 C--N 1.33 -0.255 0 O-C-N 123.562 0.539 . . . . 0.0 110.978 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -51.6 -28.25 28.38 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.436 2.757 . . . . 0.0 113.197 -176.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -122.3 51.65 1.36 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.846 0.355 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 44.14 38.47 2.35 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.315 1.046 . . . . 0.0 113.403 171.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 6.1 m -78.88 -60.27 2.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.973 0.416 . . . . 0.0 110.831 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -167.46 -165.32 0.66 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.492 -175.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.403 ' HE2' ' HA ' ' A' ' 97' ' ' LEU . 34.0 m-85 -104.44 144.84 31.12 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.126 0.489 . . . . 0.0 109.976 175.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -123.73 146.71 48.08 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.319 176.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 134' ' ' ARG . 9.0 tpt180 -67.87 135.05 51.91 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.756 -172.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -117.54 175.09 5.8 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.939 -1.028 . . . . 0.0 108.879 174.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -146.2 146.25 30.74 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.662 -178.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.506 HG23 HD11 ' A' ' 8' ' ' LEU . 3.7 mp -91.55 114.94 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.249 -176.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.493 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 0.6 OUTLIER -116.83 155.33 18.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 177.133 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -72.51 137.77 80.74 Favored Pre-proline 0 C--N 1.318 -0.783 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 177.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -67.99 116.32 4.25 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.609 2.206 . . . . 0.0 111.284 177.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -78.4 113.77 37.03 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.325 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -82.78 30.05 0.54 Allowed 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.664 2.242 . . . . 0.0 112.149 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -128.03 2.21 5.9 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.63 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -74.2 129.79 83.76 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.733 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -68.96 134.32 29.36 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.719 2.279 . . . . 0.0 111.698 177.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 4.1 pp -77.2 148.55 35.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.103 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.03 166.37 11.97 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-O 121.448 0.642 . . . . 0.0 111.785 -176.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -75.82 77.74 2.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.639 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -68.76 107.01 2.86 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.494 0.664 . . . . 0.0 110.985 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -99.38 36.59 1.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.323 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 42.5 m80 62.03 80.87 0.21 Allowed 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.36 -170.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 66.54 -76.22 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.403 -172.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.288 -0.863 . . . . 0.0 108.863 178.016 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 ttm . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -100.95 122.5 43.6 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 173.278 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.474 HG22 HD23 ' A' ' 8' ' ' LEU . 15.1 t -156.98 174.64 15.22 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.978 -171.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 46.5 p -114.19 148.65 40.53 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.498 -176.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -55.35 -34.58 89.27 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 123.0 2.467 . . . . 0.0 112.276 178.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.51 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 34.1 t70 -59.32 -47.4 85.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.86 178.291 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.552 ' O ' HG13 ' A' ' 11' ' ' ILE . 46.3 mm -68.35 -42.72 84.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.374 178.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.474 HD23 HG22 ' A' ' 3' ' ' THR . 86.5 mt -54.75 -45.6 74.21 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.574 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -67.29 -39.61 86.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.124 0.487 . . . . 0.0 110.61 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.51 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 47.8 mt-30 -63.33 -33.55 75.76 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.145 178.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 7' ' ' ILE . 74.7 mt -61.88 -40.93 88.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 175.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 67.6 mtt180 -58.56 -49.43 77.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.243 0.544 . . . . 0.0 110.174 176.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.33 -46.9 91.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.356 -178.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -65.19 -27.74 68.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.813 -177.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.95 -47.36 91.67 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.69 175.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.79 -30.56 62.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.068 0.461 . . . . 0.0 110.728 176.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -59.24 -36.27 75.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.402 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.96 -15.4 57.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.379 -178.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.446 ' OH ' ' HB3' ' A' ' 86' ' ' PRO . 2.0 m-85 -67.07 164.49 35.14 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.105 -178.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -77.44 -2.99 28.99 Favored 'Cis proline' 0 C--N 1.351 0.677 0 C-N-CA 124.589 -1.005 . . . . 0.0 113.775 2.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -81.24 169.21 17.61 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.801 -178.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -74.68 122.85 23.85 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.101 0.477 . . . . 0.0 110.305 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.83 89.36 0.8 Allowed Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.603 -177.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.1 p -95.82 151.98 18.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.883 0.373 . . . . 0.0 110.005 174.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -171.92 -177.54 41.59 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.184 -1.007 . . . . 0.0 112.734 -178.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -116.68 149.1 40.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.626 0.251 . . . . 0.0 110.76 -175.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.5 mt -105.27 125.33 50.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.155 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.53 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 61.1 mt -110.02 144.64 38.28 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -178.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.484 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . -173.91 -159.8 21.03 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.087 -1.054 . . . . 0.0 112.684 179.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.1 p -121.24 159.93 24.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.865 0.364 . . . . 0.0 111.0 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.9 t -96.01 109.83 23.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.984 0.421 . . . . 0.0 110.145 176.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.436 ' C ' ' H ' ' A' ' 34' ' ' ASP . 17.8 p -97.6 149.96 21.66 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.853 177.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.5 t70 70.35 -3.45 1.85 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.335 0.588 . . . . 0.0 110.325 178.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.436 ' H ' ' C ' ' A' ' 32' ' ' THR . 24.0 t70 68.1 20.15 9.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.92 -1.037 . . . . 0.0 109.833 -176.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.0 10.27 0.12 Allowed Glycine 0 CA--C 1.523 0.576 0 C-N-CA 120.654 -0.784 . . . . 0.0 113.791 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -123.9 159.82 28.84 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 117.466 0.633 . . . . 0.0 110.97 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.43 ' HB2' ' HB ' ' A' ' 79' ' ' VAL . 7.7 p30 -105.49 123.12 47.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.401 177.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.499 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 57.3 ttt180 -116.88 109.28 16.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.26 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.8 t -76.7 129.78 36.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.716 -0.22 . . . . 0.0 110.813 -178.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -130.77 -27.67 2.08 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -177.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.53 ' HB1' ' HB2' ' A' ' 28' ' ' LEU . . . -137.67 148.03 45.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.933 0.397 . . . . 0.0 111.406 -176.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.8 mt -113.67 145.41 41.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.302 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -137.88 121.13 16.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.735 0.303 . . . . 0.0 110.747 176.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.634 ' HG3' HG21 ' A' ' 46' ' ' THR . 14.2 ptp180 -84.88 138.79 32.32 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 174.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.467 ' O ' ' HB ' ' A' ' 46' ' ' THR . . . -71.45 89.62 0.94 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 111.585 -176.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.634 HG21 ' HG3' ' A' ' 44' ' ' ARG . 9.9 t 175.01 156.08 0.16 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.722 176.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -97.43 142.85 28.78 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.091 0.472 . . . . 0.0 110.188 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.449 ' HD2' ' O ' ' A' ' 48' ' ' ARG . 3.7 tmm_? -97.57 88.28 4.32 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.988 -175.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 59.91 -169.52 0.15 Allowed 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.767 174.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.6 t 63.97 28.07 14.38 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.3 174.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.527 ' HA ' ' OG1' ' A' ' 60' ' ' THR . 1.7 mp0 -62.49 -38.58 90.43 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.369 0.604 . . . . 0.0 110.492 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -82.36 70.73 9.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.092 -175.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -96.92 -41.16 8.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.056 0.455 . . . . 0.0 110.087 176.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.528 ' HB ' ' HB3' ' A' ' 58' ' ' GLU . 16.9 m -133.97 149.04 51.22 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.758 -177.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.567 ' O ' ' HG2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -81.71 85.99 6.5 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.138 -174.49 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.567 ' HG2' ' O ' ' A' ' 55' ' ' ARG . 10.4 ptp180 70.28 -25.73 0.16 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.639 1.176 . . . . 0.0 112.731 174.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.437 ' H ' ' C ' ' A' ' 55' ' ' ARG . 46.6 t80 -67.75 -29.9 69.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.241 0.543 . . . . 0.0 110.018 178.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.528 ' HB3' ' HB ' ' A' ' 54' ' ' THR . 34.7 tt0 -148.05 136.96 21.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.986 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -137.32 140.68 41.66 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.527 ' OG1' ' HA ' ' A' ' 51' ' ' GLU . 76.9 p -87.72 104.04 16.17 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.841 0.353 . . . . 0.0 111.007 -178.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.32 168.89 10.19 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 176.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -104.47 143.93 32.36 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.248 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -160.43 162.05 33.13 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 -174.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -53.25 -47.19 69.28 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 121.246 -0.182 . . . . 0.0 110.783 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -61.1 -40.7 94.71 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 123.075 0.234 . . . . 0.0 110.834 -175.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.83 -47.51 74.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.21 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.35 -37.62 88.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.238 0.542 . . . . 0.0 110.368 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.529 ' O ' ' HG2' ' A' ' 72' ' ' GLN . 17.7 t70 -65.65 -40.79 92.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.041 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.03 84.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.097 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.25 -32.93 74.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.056 0.455 . . . . 0.0 110.194 176.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.468 ' HB1' HD23 ' A' ' 28' ' ' LEU . . . -61.91 -48.89 78.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.84 173.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.529 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 29.3 mm-40 -57.35 -41.57 80.33 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.404 178.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -54.7 -42.39 71.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.191 177.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -88.48 6.94 35.36 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.619 -177.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.1 23.53 77.83 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.211 179.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 43.3 mt -117.77 172.09 7.61 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -178.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -139.09 168.58 19.52 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 172.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.3 t -78.2 108.75 12.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.883 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.43 ' HB ' ' HB2' ' A' ' 37' ' ' ASN . 27.1 m -91.1 -12.29 9.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.288 -176.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 173.94 -176.31 46.43 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.068 -1.063 . . . . 0.0 113.326 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.1 t -134.34 158.11 41.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 -179.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -132.96 151.36 52.07 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.244 0.545 . . . . 0.0 111.39 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -124.41 153.67 41.56 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.171 -178.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.1 m -103.51 130.71 50.95 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 173.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.623 ' HB3' ' O ' ' A' ' 88' ' ' HIS . 2.1 m170 -117.39 85.86 20.94 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -173.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.446 ' HB3' ' OH ' ' A' ' 19' ' ' TYR . 94.2 Cg_endo -93.43 -5.81 2.76 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 122.737 2.291 . . . . 0.0 111.579 169.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -90.66 -42.03 10.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.687 -1.142 . . . . 0.0 110.581 -176.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.623 ' O ' ' HB3' ' A' ' 85' ' ' HIS . 20.3 m80 -147.26 165.31 19.36 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.74 -166.36 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.998 2.466 . . . . 0.0 114.005 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.73 11.76 2.43 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -168.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 39.0 mtm180 -101.63 147.72 34.23 Favored Pre-proline 0 C--N 1.32 -0.711 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.154 174.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -62.2 131.7 35.62 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 123.032 2.488 . . . . 0.0 112.687 -177.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.9 m -96.02 -175.05 3.28 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.433 177.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.47 -40.09 85.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.63 0.252 . . . . 0.0 110.907 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.7 p -64.98 -40.45 94.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.492 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -63.29 -39.14 93.76 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.092 0.473 . . . . 0.0 109.962 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -45.87 83.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.536 176.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -70.88 -26.49 63.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.028 -0.987 . . . . 0.0 112.386 -176.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -95.65 20.74 9.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.216 0.532 . . . . 0.0 110.789 176.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -106.45 108.79 20.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.675 177.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.617 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 5.8 t -135.54 3.08 3.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.561 0.696 . . . . 0.0 110.723 -178.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.605 ' HB3' ' CD1' ' A' ' 105' ' ' PHE . 93.7 m-85 -107.57 88.64 4.36 Favored Pre-proline 0 C--N 1.315 -0.918 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.579 -178.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.617 ' HD3' ' O ' ' A' ' 101' ' ' THR . 5.8 Cg_exo -76.98 64.37 7.72 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.011 2.474 . . . . 0.0 112.123 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 171.46 27.62 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.89 178.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.605 ' CD1' ' HB3' ' A' ' 102' ' ' PHE . 35.9 m-85 -132.38 154.06 50.16 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -177.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.6 m -92.69 116.97 29.49 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.858 0.361 . . . . 0.0 110.358 177.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -93.13 108.27 19.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.792 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 89.1 t -96.17 125.73 48.95 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 121.303 0.573 . . . . 0.0 110.506 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 76.7 mt -121.08 117.91 54.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.625 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.16 128.58 72.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 121.59 0.709 . . . . 0.0 110.915 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.4 t -82.22 106.44 14.12 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.597 175.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 57.4 t -114.89 117.04 54.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -104.16 90.77 3.68 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.397 0.618 . . . . 0.0 110.88 -177.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 19.5 t70 56.53 45.65 21.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.312 -1.313 . . . . 0.0 111.215 176.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 101.74 -13.65 57.8 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.422 177.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -92.83 115.59 65.13 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 120.434 0.159 . . . . 0.0 111.254 -179.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_exo -71.41 104.21 1.53 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.879 2.386 . . . . 0.0 110.952 175.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -93.66 -68.92 0.77 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.435 -173.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.27 122.88 25.87 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -177.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.0 tt -108.17 123.08 48.2 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.3 m -140.13 155.9 46.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.938 0.399 . . . . 0.0 110.089 -179.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -124.96 146.91 49.15 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 76.7 m95 -132.79 139.4 47.51 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.794 -175.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.59 128.72 52.67 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.687 176.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 63.4 tp -83.97 134.65 34.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.896 0.379 . . . . 0.0 110.356 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.46 148.09 98.14 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.423 176.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.67 -26.38 81.95 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.912 2.408 . . . . 0.0 112.718 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -86.24 -11.3 52.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.33 178.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 65.58 21.39 11.72 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.585 -173.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 7.7 p -68.11 -37.39 81.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.433 -178.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -162.67 175.44 11.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.145 0.498 . . . . 0.0 110.668 -178.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -106.55 153.96 21.57 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.385 174.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -124.1 138.53 54.42 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 176.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 134' ' ' ARG . 4.3 ttp180 -68.66 126.42 29.65 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.334 0.587 . . . . 0.0 110.462 178.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.08 166.07 14.69 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.869 -178.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -118.38 139.91 50.65 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.944 -177.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 49.5 mm -96.63 113.46 31.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.964 0.411 . . . . 0.0 110.26 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 3.4 m -133.74 154.16 37.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.67 -179.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -83.09 144.33 47.13 Favored Pre-proline 0 N--CA 1.448 -0.555 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -69.38 121.77 8.55 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 121.671 1.581 . . . . 0.0 110.128 169.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.514 ' C ' ' H ' ' A' ' 143' ' ' GLU . 6.2 t70 -48.45 136.37 12.47 Favored Pre-proline 0 N--CA 1.467 0.399 0 O-C-N 123.534 0.521 . . . . 0.0 110.738 -175.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 141' ' ' ASP . 27.9 Cg_exo -64.58 27.69 0.08 OUTLIER 'Trans proline' 0 N--CA 1.478 0.576 0 C-N-CA 123.842 3.028 . . . . 0.0 114.634 -176.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.514 ' H ' ' C ' ' A' ' 141' ' ' ASP . 39.6 mt-10 -100.64 -51.83 3.49 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 166.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . 39.83 66.07 3.34 Favored Pre-proline 0 C--O 1.233 0.206 0 CA-C-N 114.538 -1.21 . . . . 0.0 111.088 -177.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -84.09 156.86 13.17 Favored 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 122.786 2.324 . . . . 0.0 113.085 -172.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.403 ' N ' HD13 ' A' ' 146' ' ' LEU . 6.9 mp -88.9 -177.93 5.61 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.545 176.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.439 ' H ' ' CD ' ' A' ' 147' ' ' GLU . 7.3 mp0 -64.27 -24.1 67.54 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 121.272 0.558 . . . . 0.0 110.493 177.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -145.04 141.09 28.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.757 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -89.55 98.13 11.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.988 0.423 . . . . 0.0 109.976 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -109.26 118.29 36.32 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.318 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -74.86 151.61 38.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.25 177.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -72.63 -36.34 68.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.783 -175.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.486 -0.769 . . . . 0.0 109.771 175.82 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.51 ' H1 ' ' CD ' ' A' ' 135' ' ' GLU . 27.2 ttt . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 138' ' ' VAL . 1.1 mptm? -113.99 119.04 35.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.056 0.455 . . . . 0.0 110.546 -179.36 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.5 t -159.29 174.1 15.3 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.293 -177.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.6 p -101.79 159.17 30.21 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.885 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.493 ' HA ' HD11 ' A' ' 8' ' ' LEU . 9.6 Cg_endo -53.87 -29.36 52.86 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.269 2.646 . . . . 0.0 111.77 176.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.483 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 1.8 m-20 -55.16 -49.63 71.36 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.047 176.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.443 ' O ' HG12 ' A' ' 11' ' ' ILE . 45.9 mm -66.95 -41.57 87.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.337 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.493 HD11 ' HA ' ' A' ' 5' ' ' PRO . 89.7 mt -55.77 -46.4 77.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.924 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.434 ' O ' HG23 ' A' ' 13' ' ' VAL . 33.9 t70 -69.25 -41.31 77.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.996 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 47.9 mt-30 -58.52 -34.76 71.33 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.253 178.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.639 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 41.3 mm -62.42 -43.9 98.7 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 121.16 0.505 . . . . 0.0 109.876 174.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.9 mtp85 -60.91 -45.15 95.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.983 177.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 9' ' ' ASP . 86.1 t -61.46 -50.26 81.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.713 -176.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.639 ' CD2' ' HA ' ' A' ' 11' ' ' ILE . 12.2 p80 -67.1 -27.86 67.69 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.792 -178.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.05 -49.16 68.95 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.782 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.416 ' HB3' ' HG3' ' A' ' 117' ' ' PRO . . . -69.38 -31.02 69.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.989 0.423 . . . . 0.0 110.678 178.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -66.26 -38.89 88.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.303 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.19 -27.77 22.81 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.958 -177.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.691 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 1.9 t80 -55.24 148.35 31.6 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.862 -177.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.691 ' HA ' ' CG ' ' A' ' 19' ' ' TYR . 89.5 Cg_endo -80.06 -3.76 40.8 Favored 'Cis proline' 0 C--N 1.351 0.69 0 C-N-CA 124.171 -1.179 . . . . 0.0 113.816 4.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -71.26 147.93 47.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.457 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -77.52 77.54 4.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.187 0.518 . . . . 0.0 111.398 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.61 100.33 0.74 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.917 176.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 59.3 m -110.81 176.02 5.19 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.946 0.403 . . . . 0.0 110.989 -175.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 174.7 -158.03 25.78 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.036 -178.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -120.3 152.09 38.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.844 0.354 . . . . 0.0 111.096 -175.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.1 mt -100.07 123.33 44.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.688 176.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.473 HD22 ' HB1' ' A' ' 71' ' ' ALA . 70.3 mt -105.08 131.97 51.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.243 0.544 . . . . 0.0 110.417 -177.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.15 -157.3 16.17 Favored Glycine 0 N--CA 1.441 -0.98 0 N-CA-C 111.456 -0.657 . . . . 0.0 111.456 -178.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.448 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 1.3 p -136.51 148.73 47.78 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.751 0.31 . . . . 0.0 111.506 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.5 ' HA ' ' O ' ' A' ' 36' ' ' ASP . 62.2 t -98.19 131.88 44.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 173.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.1 p -73.38 176.61 5.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.833 0.349 . . . . 0.0 111.011 -177.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -67.28 -28.25 67.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.186 177.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -87.38 -12.3 46.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.686 -177.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.86 16.44 13.92 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.518 -0.849 . . . . 0.0 113.105 175.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.5 ' O ' ' HA ' ' A' ' 31' ' ' VAL . 11.6 m-20 -76.95 139.8 40.26 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 117.048 0.424 . . . . 0.0 110.57 176.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -102.4 108.69 20.11 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.499 175.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' ' 30' ' ' THR . 7.8 ptm180 -110.31 136.5 49.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.269 0.557 . . . . 0.0 109.864 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.475 HG21 ' HE1' ' A' ' 1' ' ' MET . 59.5 t -107.82 121.21 60.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.957 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.302 -178.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.91 -30.41 7.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.611 -177.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.402 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . . . -135.1 154.17 51.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.339 . . . . 0.0 111.354 -176.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.3 mt -116.33 148.39 40.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.7 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -133.67 122.13 22.98 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.474 176.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 -90.22 140.25 29.86 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.751 176.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.06 98.15 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.054 0.454 . . . . 0.0 110.706 178.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.8 m -144.61 146.11 32.13 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.74 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.75 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 1.3 p30 -76.61 106.56 8.33 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.476 0.655 . . . . 0.0 111.209 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 68.1 ttt180 -74.07 94.37 2.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.376 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 -89.86 99.61 12.59 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.753 0.787 . . . . 0.0 109.798 174.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.5 t -100.81 -160.11 0.78 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.863 -176.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.06 146.13 39.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.06 0.457 . . . . 0.0 110.842 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.425 ' O ' ' HB2' ' A' ' 53' ' ' ARG . 20.7 mm-40 -92.16 178.09 5.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.111 178.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 52' ' ' GLN . 96.0 mtt180 68.64 8.03 6.46 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 122.835 0.454 . . . . 0.0 111.582 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.7 t -87.17 6.22 34.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.129 -176.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 55' ' ' ARG . 23.8 mtp85 63.66 -170.48 0.18 Allowed 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -176.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.466 ' HA ' ' HD3' ' A' ' 56' ' ' ARG . 6.9 mmt180 59.1 59.24 2.82 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.936 0.398 . . . . 0.0 111.962 176.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.508 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 96.0 m-85 -84.2 -164.85 1.01 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.224 178.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.508 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 5.2 mm-40 71.31 14.82 6.45 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.785 0.802 . . . . 0.0 109.655 -170.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.44 HD11 ' O ' ' A' ' 59' ' ' LEU . 2.3 pp -66.11 143.22 57.44 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.304 179.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.7 m -125.05 106.04 9.63 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.12 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.75 ' HB3' ' HA ' ' A' ' 47' ' ' ASN . . . -79.58 167.57 20.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.925 -177.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 71.35 -44.73 0.6 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.648 0.779 . . . . 0.0 111.478 -177.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.428 ' CG ' ' H ' ' A' ' 64' ' ' TYR . 5.5 t70 -85.74 -167.8 1.99 Allowed 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.417 -173.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.428 ' H ' ' CG ' ' A' ' 63' ' ' ASP . 71.5 t80 -59.71 -43.29 94.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.618 -172.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -53.98 -37.14 63.66 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -173.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.39 -41.43 63.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.88 0.372 . . . . 0.0 111.29 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.52 -34.69 76.32 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.179 177.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -58.38 -46.51 86.2 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.872 177.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.87 -49.6 56.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.217 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.39 -32.96 72.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.186 -178.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.473 ' HB1' HD22 ' A' ' 28' ' ' LEU . . . -62.72 -51.91 65.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.438 177.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -64.71 -36.28 83.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.733 -178.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.3 -36.52 78.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.156 0.503 . . . . 0.0 111.251 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -86.42 -3.29 58.98 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.078 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.07 26.52 52.64 Favored Glycine 0 N--CA 1.454 -0.164 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.426 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 74.9 mt -127.65 -178.21 4.39 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -143.09 176.85 8.79 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 173.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.7 t -82.06 101.92 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.966 0.413 . . . . 0.0 110.148 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.6 m -94.95 -17.24 7.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -178.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.525 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -165.17 172.12 40.71 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 119.996 -1.097 . . . . 0.0 113.158 -178.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' A' ' 107' ' ' TYR . 9.7 t -135.16 157.77 40.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 177.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -137.43 145.5 43.24 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.249 -0.58 . . . . 0.0 111.564 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 66.1 m170 -122.62 147.18 46.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.586 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -107.37 141.83 38.12 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 176.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.407 ' O ' ' HE1' ' A' ' 19' ' ' TYR . 20.1 m170 -106.98 140.42 21.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.414 178.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -98.49 -3.65 0.97 Allowed 'Trans proline' 0 N--CA 1.451 -0.986 0 C-N-CA 123.285 2.657 . . . . 0.0 112.086 173.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -151.82 136.34 16.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.332 -173.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 25.1 m80 66.07 160.5 0.13 Allowed Pre-proline 0 N--CA 1.471 0.605 0 O-C-N 123.886 0.742 . . . . 0.0 112.051 -178.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.32 -172.11 0.22 Allowed 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.134 2.556 . . . . 0.0 113.492 -178.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.504 ' HB3' ' HB2' ' A' ' 111' ' ' SER . . . -83.46 80.99 8.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.489 -177.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.514 ' HD3' ' HZ2' ' A' ' 123' ' ' TRP . 22.0 mmt180 -144.27 149.37 44.6 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 174.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -62.09 125.51 16.6 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.376 2.05 . . . . 0.0 113.11 -176.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.8 t -97.59 178.68 5.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.351 177.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.478 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -66.53 -49.51 66.26 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -173.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.8 m -77.86 -32.77 52.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.356 0.598 . . . . 0.0 109.685 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -59.47 -38.89 81.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.035 177.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.411 HD13 ' C ' ' A' ' 97' ' ' LEU . 3.3 tm? -69.19 -45.3 70.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.198 174.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 52.8 mt-10 -64.57 -26.05 68.24 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -175.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -80.47 4.5 18.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.853 0.358 . . . . 0.0 111.134 177.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -132.85 81.58 1.95 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.95 0.405 . . . . 0.0 110.614 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.5 t -110.32 2.78 19.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 122.197 0.999 . . . . 0.0 109.901 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -108.85 89.16 6.11 Favored Pre-proline 0 C--N 1.315 -0.923 0 CA-C-N 114.347 -1.297 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.537 ' HA ' HD23 ' A' ' 125' ' ' LEU . 43.2 Cg_endo -67.39 143.8 65.11 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.757 2.305 . . . . 0.0 112.594 -177.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.26 -43.48 0.73 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.158 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.525 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 61.8 m-85 -88.95 162.15 16.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.006 0.431 . . . . 0.0 110.993 -178.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.6 m -92.25 122.99 35.25 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 172.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.445 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 98.8 m-85 -102.47 114.33 28.43 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.143 0.497 . . . . 0.0 110.882 -174.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.1 t -98.66 126.34 51.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.949 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.1 mt -110.04 126.8 67.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 175.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.9 p -103.62 133.73 46.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.241 0.543 . . . . 0.0 110.751 -177.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.504 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 20.4 t -91.28 107.2 19.04 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.853 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 40.9 t -124.66 122.24 63.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 176.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 43.7 mtm105 -117.78 95.33 4.88 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.145 0.498 . . . . 0.0 110.941 -177.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.412 ' HA ' ' HE2' ' A' ' 19' ' ' TYR . 29.0 t70 49.33 74.92 0.17 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 114.584 -1.189 . . . . 0.0 111.693 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.419 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 81.17 -20.93 6.3 Favored Glycine 0 CA--C 1.521 0.413 0 CA-C-N 115.75 -0.659 . . . . 0.0 113.445 177.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -96.29 111.24 56.02 Favored Pre-proline 0 C--N 1.328 -0.351 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -176.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 5.8 Cg_exo -78.7 111.63 3.01 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 123.054 2.503 . . . . 0.0 110.757 173.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -88.67 -78.88 0.32 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.814 -173.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -144.71 159.15 43.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.136 0.493 . . . . 0.0 111.587 -172.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.518 HD22 ' HB ' ' A' ' 11' ' ' ILE . 6.9 mp -103.57 133.13 49.11 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.934 178.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 63.5 p -121.35 129.31 53.0 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 173.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.92 136.7 48.79 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.529 ' HB3' ' HB3' ' A' ' 132' ' ' PHE . 54.3 m95 -129.32 142.13 50.91 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.255 -176.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.4 127.68 52.11 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 174.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.537 HD23 ' HA ' ' A' ' 103' ' ' PRO . 43.6 tp -80.18 119.02 22.39 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.97 149.47 81.27 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.307 -178.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.77 -25.64 52.69 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.607 2.204 . . . . 0.0 111.88 177.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -74.23 -11.16 60.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.993 179.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 45.61 29.83 0.7 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.467 1.107 . . . . 0.0 112.632 -178.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 6.4 t -101.07 -20.31 15.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.986 0.422 . . . . 0.0 110.466 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -158.15 172.01 19.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.017 0.437 . . . . 0.0 110.935 -176.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.529 ' HB3' ' HB3' ' A' ' 123' ' ' TRP . 57.0 m-85 -106.83 155.09 20.1 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.397 172.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 61.5 m-70 -124.49 139.14 54.16 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 172.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -65.66 130.7 44.2 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.044 -176.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.51 ' CD ' ' H1 ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -101.53 167.3 10.22 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.16 179.244 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -118.76 137.62 53.24 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.276 0.56 . . . . 0.0 111.321 -173.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 38.3 mm -90.4 114.76 28.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.029 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.471 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 1.4 t -126.36 155.88 36.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.841 -178.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -87.44 144.33 35.53 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.61 -178.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -74.04 103.61 1.7 Allowed 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 122.925 2.416 . . . . 0.0 111.674 175.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -75.01 133.65 75.46 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.123 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -72.65 29.5 0.28 Allowed 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.135 2.557 . . . . 0.0 114.63 -173.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -116.61 -6.45 11.63 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 121.332 0.587 . . . . 0.0 109.659 170.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -90.68 130.69 40.14 Favored Pre-proline 0 N--CA 1.447 -0.604 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 173.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -43.16 127.46 5.24 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.364 2.709 . . . . 0.0 112.756 -176.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.415 HD11 ' H ' ' A' ' 146' ' ' LEU . 0.0 OUTLIER -96.77 -179.42 4.57 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.542 -175.685 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.459 ' HG2' ' HB2' ' A' ' 149' ' ' HIS . 43.6 tt0 -66.99 139.23 57.67 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.263 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -77.98 72.52 4.51 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 176.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . 0.459 ' HB2' ' HG2' ' A' ' 147' ' ' GLU . 6.8 t60 -135.98 127.98 29.59 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.744 -173.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -135.55 100.5 4.51 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.935 0.398 . . . . 0.0 110.378 176.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -140.74 105.99 5.03 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 177.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 27.2 p80 -88.33 28.9 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.357 -177.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.603 -0.713 . . . . 0.0 109.265 -179.499 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.633 0.254 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.521 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 13.9 mptt -108.27 123.55 48.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.102 0.477 . . . . 0.0 111.09 176.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.4 t -159.39 173.89 15.56 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.526 177.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 51.8 p -102.78 152.18 38.42 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.646 0.26 . . . . 0.0 110.849 -178.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.431 ' HA ' HD12 ' A' ' 8' ' ' LEU . 12.5 Cg_endo -58.11 -27.68 80.84 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.915 2.41 . . . . 0.0 111.524 175.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -57.22 -44.81 84.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.739 175.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.453 ' O ' HG13 ' A' ' 11' ' ' ILE . 49.4 mm -75.27 -39.03 41.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.282 177.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 5' ' ' PRO . 86.8 mt -56.98 -47.47 80.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.016 -178.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.403 ' O ' HG22 ' A' ' 13' ' ' VAL . 20.7 t70 -64.86 -38.27 90.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.871 0.367 . . . . 0.0 110.224 -178.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -59.32 -30.8 68.61 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.216 175.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 7' ' ' ILE . 63.8 mt -65.11 -42.69 95.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 175.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.451 ' HB3' ' CB ' ' A' ' 117' ' ' PRO . 29.3 mtm180 -63.19 -40.67 98.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.504 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' ' 9' ' ' ASP . 89.3 t -56.71 -45.05 82.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.943 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 48.4 m80 -58.8 -38.27 78.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.344 -179.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.61 -48.26 63.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.426 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.57 -29.04 63.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 111.224 -178.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -73.71 -38.36 64.86 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.229 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.719 ' O ' ' HG2' ' A' ' 21' ' ' GLU . . . -84.28 -29.22 26.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.316 -0.857 . . . . 0.0 112.578 -174.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.478 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 41.3 t80 -46.41 135.79 7.32 Favored Pre-proline 0 N--CA 1.469 0.476 0 O-C-N 123.106 0.254 . . . . 0.0 111.056 -175.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.478 ' HA ' ' CG ' ' A' ' 19' ' ' TYR . 25.6 Cg_endo -91.27 -3.76 52.42 Favored 'Cis proline' 0 N--CA 1.46 -0.487 0 C-N-CA 124.19 -1.171 . . . . 0.0 114.445 4.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.719 ' HG2' ' O ' ' A' ' 18' ' ' ALA . 11.5 pt-20 -71.53 163.81 27.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 110.905 -175.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -75.01 98.79 3.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.066 0.46 . . . . 0.0 110.79 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.471 ' HA3' ' CB ' ' A' ' 18' ' ' ALA . . . -105.11 27.72 17.49 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.699 177.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.0 p -74.43 172.69 11.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.518 -0.341 . . . . 0.0 110.814 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -171.68 -158.81 16.52 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.302 -0.952 . . . . 0.0 112.782 -179.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.462 ' HA ' ' HA ' ' A' ' 81' ' ' VAL . 89.8 m-85 -114.98 156.51 24.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.883 0.373 . . . . 0.0 110.529 -175.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.463 HD12 HG22 ' A' ' 108' ' ' VAL . 78.9 mt -94.07 119.68 33.27 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.595 179.007 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.425 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 76.9 mt -104.64 135.29 46.31 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.963 0.411 . . . . 0.0 109.909 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.447 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . -177.03 -150.04 8.11 Favored Glycine 0 N--CA 1.439 -1.104 0 C-N-CA 120.522 -0.847 . . . . 0.0 111.604 179.303 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.9 p -135.14 153.46 51.98 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.741 0.305 . . . . 0.0 110.526 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.2 t -90.81 118.93 37.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 175.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.0 p -79.3 173.44 12.58 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 -176.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -65.67 -16.28 63.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.469 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -66.98 -30.75 70.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.474 176.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.88 13.26 55.32 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 -173.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -100.68 169.13 9.24 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.519 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 3.0 m-20 -102.78 108.43 19.66 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -176.454 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.521 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 12.4 ttp180 -96.35 110.39 22.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.526 -177.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.9 t -85.31 124.24 39.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.292 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.21 -20.71 6.11 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.558 -178.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.425 ' HB1' ' HB2' ' A' ' 28' ' ' LEU . . . -139.87 154.64 47.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.897 0.38 . . . . 0.0 111.403 -178.398 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.4 mt -118.79 127.5 53.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.289 -179.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -123.51 121.6 36.07 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.164 -0.309 . . . . 0.0 110.164 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -73.35 139.26 45.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.274 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.61 62.36 1.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.398 0.618 . . . . 0.0 110.426 177.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.5 m -156.21 142.63 18.45 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.167 -0.924 . . . . 0.0 108.872 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.785 ' HB2' HG23 ' A' ' 60' ' ' THR . 9.2 p30 -63.32 145.99 54.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.145 0.497 . . . . 0.0 110.785 178.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -101.35 106.24 17.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.564 -177.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -69.52 104.66 2.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.313 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.1 t -163.38 161.66 24.55 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.205 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -87.09 138.02 31.85 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 167.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.594 ' HB2' ' HB3' ' A' ' 56' ' ' ARG . 10.4 pt20 -64.69 132.4 49.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.31 0.576 . . . . 0.0 111.406 -173.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -82.05 59.64 4.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.088 -178.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 95.8 m 63.92 106.14 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.061 -178.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.405 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 16.4 mmt180 65.01 81.61 0.2 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.548 177.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.594 ' HB3' ' HB2' ' A' ' 52' ' ' GLN . 43.4 ttt85 -151.97 139.89 20.04 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.332 176.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -69.97 -50.92 37.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 123.131 0.27 . . . . 0.0 110.853 -177.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 52.01 51.77 15.77 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.892 0.745 . . . . 0.0 110.367 -178.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 tt -71.48 100.87 2.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.658 -178.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.785 HG23 ' HB2' ' A' ' 47' ' ' ASN . 7.4 p -86.31 70.72 10.53 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.143 0.497 . . . . 0.0 111.751 -176.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.14 -18.86 7.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.819 175.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 68.32 14.51 9.2 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.819 0.7 . . . . 0.0 111.392 177.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -101.94 -168.44 1.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.389 -179.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -57.36 -40.35 77.93 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.874 178.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -56.15 -38.05 70.33 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.216 0.322 . . . . 0.0 111.776 -177.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.56 -39.46 81.02 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.775 0.322 . . . . 0.0 111.174 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.69 -39.59 76.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.997 0.427 . . . . 0.0 110.143 176.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -66.12 -44.45 84.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.783 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.501 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -60.88 -53.64 54.89 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.029 -178.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.94 -34.53 77.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.123 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.408 ' HB1' HD22 ' A' ' 28' ' ' LEU . . . -62.68 -48.88 77.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.092 176.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.904 ' HB3' ' HB3' ' A' ' 153' ' ' HIS . 28.0 mm-40 -67.57 -32.5 73.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.516 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 50.3 mt-10 -60.97 -39.4 89.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.11 0.481 . . . . 0.0 110.8 174.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -82.69 -29.98 29.53 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.66 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.3 26.16 6.71 Favored Glycine 0 C--O 1.229 -0.209 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.098 -178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 70.3 mt -126.51 177.65 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -134.52 175.02 9.91 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 173.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.8 t -85.04 103.84 12.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.423 -176.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.519 ' HB ' ' HB3' ' A' ' 37' ' ' ASN . 27.2 m -100.39 4.99 10.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.741 -175.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.3 -172.11 43.84 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 119.795 -1.193 . . . . 0.0 112.906 178.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.462 ' HA ' ' HA ' ' A' ' 26' ' ' PHE . 2.9 t -138.85 150.88 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -136.93 136.69 38.82 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 28.8 p-80 -147.94 137.05 22.13 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.96 0.41 . . . . 0.0 111.274 -177.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 m -106.76 138.44 42.93 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.487 -177.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 1.4 p80 -166.9 142.08 3.46 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.109 170.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 5.2 Cg_endo -88.88 116.39 0.8 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 123.554 2.836 . . . . 0.0 110.162 171.136 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -165.5 -55.18 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.418 0.628 . . . . 0.0 110.696 -169.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -141.35 154.73 67.52 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.001 178.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -67.43 84.0 0.37 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.731 2.287 . . . . 0.0 113.56 -171.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 58.52 23.13 10.45 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.302 175.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.54 ' HD3' ' O ' ' A' ' 92' ' ' PRO . 0.2 OUTLIER -127.07 152.25 75.48 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 175.34 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.54 ' O ' ' HD3' ' A' ' 91' ' ' ARG . 14.2 Cg_endo -55.94 154.84 25.42 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 123.078 2.519 . . . . 0.0 112.903 -177.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.5 t -97.34 -175.84 3.34 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.427 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -60.49 -43.25 97.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.01 0.433 . . . . 0.0 109.846 176.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.8 m -61.3 -39.56 90.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.103 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -59.76 -43.45 94.31 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.212 178.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.34 -45.01 81.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.773 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 44.0 mt-10 -60.44 -39.02 85.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.309 -0.86 . . . . 0.0 112.717 -176.041 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -109.79 20.67 17.8 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -172.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -108.3 103.41 12.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.987 0.423 . . . . 0.0 110.548 174.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.9 m -142.79 20.52 1.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.187 0.518 . . . . 0.0 110.603 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -130.59 86.45 52.94 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.273 0.558 . . . . 0.0 111.319 -178.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.41 177.64 3.76 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 123.151 2.567 . . . . 0.0 112.169 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 90.33 -22.13 28.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.73 -177.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -100.8 143.07 31.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.262 -0.469 . . . . 0.0 109.838 175.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.1 m -91.34 123.99 35.2 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -93.78 109.03 20.72 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.339 -178.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.463 HG22 HD12 ' A' ' 27' ' ' LEU . 63.3 t -95.22 116.84 37.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-O 121.229 0.538 . . . . 0.0 110.117 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.8 mt -110.98 117.97 56.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.197 177.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.637 ' HB ' HD21 ' A' ' 120' ' ' LEU . 2.8 p -110.12 134.65 51.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.259 -179.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.52 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 29.7 t -81.34 107.36 14.06 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.151 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 65.9 t -112.98 116.61 53.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -108.97 87.65 2.54 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.447 -176.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.456 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 35.7 t70 67.69 -71.79 0.1 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 114.828 -1.078 . . . . 0.0 111.468 179.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -134.51 6.41 4.56 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.598 -0.81 . . . . 0.0 111.82 178.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -115.27 110.79 45.01 Favored Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -176.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.451 ' CB ' ' HB3' ' A' ' 12' ' ' ARG . 7.5 Cg_exo -73.42 101.71 1.39 Allowed 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.725 2.283 . . . . 0.0 110.627 171.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.52 ' HB3' ' HB3' ' A' ' 111' ' ' SER . 42.5 tt0 -74.25 -70.38 0.4 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.666 -172.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -142.83 146.59 34.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.007 0.432 . . . . 0.0 112.163 -174.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.637 HD21 ' HB ' ' A' ' 110' ' ' VAL . 68.6 mt -100.47 122.2 42.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.092 174.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 38.5 p -129.78 132.54 46.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.775 0.322 . . . . 0.0 110.467 176.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.85 135.04 51.37 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.277 0.561 . . . . 0.0 110.499 -178.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -123.44 140.53 52.91 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.102 -174.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -111.28 127.63 55.69 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.461 173.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 55.8 tp -80.5 120.97 25.18 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.73 132.47 86.17 Favored Pre-proline 0 N--CA 1.447 -0.576 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.462 176.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.32 -26.36 61.55 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.605 2.203 . . . . 0.0 111.57 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.12 -18.34 65.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.91 176.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 45.4 mtm180 60.08 41.53 17.06 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.294 0.568 . . . . 0.0 110.811 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.3 t -103.14 -32.66 9.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.725 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -168.96 178.8 4.35 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.564 -174.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -105.19 152.73 22.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.432 173.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -123.78 138.01 54.58 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 173.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -86.17 126.74 34.46 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.506 -178.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -112.23 149.05 32.83 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.497 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -84.72 140.8 31.02 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.875 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 66.8 mt -83.81 115.18 25.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 1.5 t -108.66 155.33 9.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.077 -174.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -105.78 129.65 24.29 Favored Pre-proline 0 C--N 1.311 -1.068 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.018 -176.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.67 140.3 61.54 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.375 2.05 . . . . 0.0 111.831 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.55 ' C ' ' H ' ' A' ' 143' ' ' GLU . 19.2 m-20 -68.03 158.94 82.27 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.232 177.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -73.34 19.78 0.37 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.594 2.196 . . . . 0.0 111.912 175.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.55 ' H ' ' C ' ' A' ' 141' ' ' ASP . 29.7 mt-10 -138.94 76.4 1.57 Allowed 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.312 -1.313 . . . . 0.0 108.674 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.419 ' HA ' ' HD3' ' A' ' 145' ' ' PRO . . . -92.09 141.67 25.47 Favored Pre-proline 0 C--N 1.312 -1.055 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.539 -173.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 144' ' ' ALA . 26.5 Cg_exo -61.44 136.4 63.37 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.625 2.217 . . . . 0.0 111.356 175.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 88.9 mt -95.31 134.21 38.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.045 0.45 . . . . 0.0 111.318 -174.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.98 161.77 13.44 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 173.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -99.59 -99.93 0.23 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -157.39 109.32 2.38 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 122.611 0.364 . . . . 0.0 110.223 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -92.06 -55.84 3.29 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.995 177.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -152.0 161.12 43.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.847 0.356 . . . . 0.0 111.099 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -118.95 -175.11 2.84 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 173.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . 0.904 ' HB3' ' HB3' ' A' ' 72' ' ' GLN . 40.5 p-80 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.744 -0.646 . . . . 0.0 109.435 172.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ttt . . . . . 0 N--CA 1.483 1.207 0 CA-C-O 120.77 0.319 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -107.26 135.75 48.24 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 174.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.405 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 14.6 t -150.97 171.77 16.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.635 0.255 . . . . 0.0 110.678 -177.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.4 ' OG1' HG12 ' A' ' 7' ' ' ILE . 46.4 p -106.96 151.72 40.73 Favored Pre-proline 0 N--CA 1.449 -0.499 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.539 -178.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -57.47 -27.76 77.71 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.652 2.235 . . . . 0.0 111.384 175.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.429 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 21.5 t70 -60.08 -44.91 94.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.933 177.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.568 ' O ' HG12 ' A' ' 11' ' ' ILE . 40.7 mm -62.45 -45.4 98.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.749 178.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.47 HD12 HG23 ' A' ' 137' ' ' ILE . 83.1 mt -62.58 -37.81 87.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.138 -179.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.617 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 16.1 t70 -67.24 -42.55 83.8 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 178.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 49.9 mt-30 -60.71 -30.7 70.11 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.844 175.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.568 HG12 ' O ' ' A' ' 7' ' ' ILE . 42.5 mm -62.34 -46.7 95.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.77 177.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.617 ' HG2' ' O ' ' A' ' 9' ' ' ASP . 25.7 ptt180 -65.93 -31.36 72.24 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.1 178.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 9' ' ' ASP . 99.2 t -68.87 -47.38 76.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.774 178.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.532 ' HD2' ' HA ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -61.78 -28.32 69.37 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 121.134 -0.226 . . . . 0.0 110.704 -177.297 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' A' ' 19' ' ' TYR . . . -66.45 -49.76 54.29 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.112 179.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.83 -34.34 64.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.756 0.312 . . . . 0.0 111.049 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -71.04 -39.46 72.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.19 0.519 . . . . 0.0 111.928 -175.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.471 ' HB2' ' HA3' ' A' ' 23' ' ' GLY . . . -85.69 -27.78 25.1 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.751 -176.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.535 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 0.1 OUTLIER -60.15 150.17 72.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.795 -178.592 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.535 ' HA ' ' CG ' ' A' ' 19' ' ' TYR . 88.4 Cg_endo -83.22 -3.49 53.38 Favored 'Cis proline' 0 C--N 1.345 0.382 0 C-N-CA 123.811 -1.329 . . . . 0.0 113.591 3.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.69 161.41 30.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.189 0.519 . . . . 0.0 111.435 -177.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -77.17 94.91 4.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.569 -177.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.471 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . -114.98 77.54 0.26 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.424 179.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.3 m -86.23 -164.69 1.08 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -177.93 -177.44 46.71 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 119.793 -1.194 . . . . 0.0 113.151 178.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -118.77 154.19 33.21 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.693 0.283 . . . . 0.0 110.473 -177.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.451 HD13 HG21 ' A' ' 108' ' ' VAL . 75.5 mt -94.32 118.71 32.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.013 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 71' ' ' ALA . 58.2 mt -104.75 134.52 47.76 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.92 -154.96 13.59 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 120.294 -0.955 . . . . 0.0 112.318 -178.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 p -135.82 157.85 45.83 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 120.884 0.373 . . . . 0.0 110.512 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.58 106.05 16.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.44 0.638 . . . . 0.0 109.838 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.3 p -74.16 128.35 35.31 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.832 -177.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.7 t70 68.53 1.27 2.9 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 123.705 0.628 . . . . 0.0 110.346 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.6 t70 65.11 30.78 11.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.208 -175.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -133.15 -50.84 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 114.535 -1.212 . . . . 0.0 112.721 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -107.16 161.92 14.33 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -109.23 120.19 41.78 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.678 0.275 . . . . 0.0 111.016 -173.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -100.81 123.22 44.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.835 0.35 . . . . 0.0 110.664 176.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.408 HG13 HD22 ' A' ' 27' ' ' LEU . 54.6 t -89.1 122.79 40.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 174.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.82 -31.5 5.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.767 0.318 . . . . 0.0 111.401 -177.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.43 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -134.62 160.22 38.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.859 0.361 . . . . 0.0 111.161 -177.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.9 mt -126.39 138.36 53.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.259 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 48.5 t60 -119.07 126.99 52.96 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 174.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.7 mtt-85 -85.47 137.28 33.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.295 -177.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.53 123.74 30.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.517 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.4 t -171.65 148.83 2.5 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.778 -177.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.434 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 3.8 p-10 -85.36 135.32 33.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.639 -176.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 47' ' ' ASN . 23.3 mtt85 -161.54 123.45 2.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.49 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -74.61 95.63 2.85 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 174.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.7 m -116.42 38.67 3.34 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -168.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -70.85 91.82 0.87 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 173.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -126.3 13.38 7.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.289 -174.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.6 ttt180 -141.17 142.69 34.01 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 177.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.2 p -73.11 117.45 14.86 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.672 -177.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 67.66 -178.1 0.21 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.313 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? 72.96 21.46 3.25 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.546 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -120.95 155.95 33.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.464 -175.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -122.88 -82.39 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 172.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.91 133.15 35.41 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 174.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.6 t -86.95 34.18 0.67 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.968 0.413 . . . . 0.0 111.506 -174.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.03 -3.81 12.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.752 0.31 . . . . 0.0 111.78 -178.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.48 ' OD1' ' HG3' ' A' ' 65' ' ' ARG . 11.7 t70 -88.83 124.0 33.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.838 0.352 . . . . 0.0 110.236 -178.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -76.0 -36.79 59.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.667 -173.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -69.39 -46.0 67.93 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.739 -178.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.48 ' HG3' ' OD1' ' A' ' 62' ' ' ASP . 39.0 mtp180 -57.31 -39.13 75.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.881 0.372 . . . . 0.0 111.194 -177.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.69 -36.09 83.16 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.216 176.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.38 -41.02 77.07 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.024 0.44 . . . . 0.0 110.382 176.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.1 -38.1 81.94 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.265 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.44 -42.04 99.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.926 177.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.425 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . . . -63.78 -32.65 74.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.904 179.046 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.518 ' HB3' HD22 ' A' ' 28' ' ' LEU . . . -64.68 -48.81 73.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.864 175.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -60.44 -36.75 78.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.812 178.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.425 ' OE1' ' HA ' ' A' ' 70' ' ' ALA . 42.0 mt-10 -54.17 -43.36 70.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.387 0.613 . . . . 0.0 111.033 175.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -95.42 2.83 54.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.093 -0.958 . . . . 0.0 112.232 -174.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.68 27.9 73.52 Favored Glycine 0 CA--C 1.517 0.194 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.146 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.3 mt -116.88 -174.46 2.58 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -142.54 172.69 12.35 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 172.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.9 t -83.94 107.29 15.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 -176.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.4 m -96.28 -4.87 10.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.523 -176.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 178.27 -175.92 47.71 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.616 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.3 t -140.6 154.19 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.431 ' HB3' ' HB ' ' A' ' 108' ' ' VAL . 53.7 p90 -133.83 136.49 44.46 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.026 0.441 . . . . 0.0 109.886 175.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -142.54 133.97 26.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.696 -176.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.701 ' HG ' HG13 ' A' ' 110' ' ' VAL . 25.2 m -106.48 128.66 54.25 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.548 -176.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.464 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 3.3 p-80 -125.24 144.59 47.95 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.141 177.201 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 2.7 Cg_exo -76.14 157.85 37.9 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.829 2.353 . . . . 0.0 111.415 175.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.2 t70 71.21 152.24 0.11 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.906 0.754 . . . . 0.0 111.403 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.44 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 36.5 m80 67.44 143.13 0.08 OUTLIER Pre-proline 0 N--CA 1.468 0.455 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.149 -174.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 88' ' ' HIS . 5.9 Cg_exo -78.84 78.02 3.86 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.814 2.342 . . . . 0.0 111.473 178.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.46 ' HB1' ' HB3' ' A' ' 119' ' ' ALA . . . 61.13 -154.49 0.36 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.069 -177.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.417 ' HG2' ' CZ2' ' A' ' 123' ' ' TRP . 44.4 mtm180 65.5 148.06 0.11 Allowed Pre-proline 0 C--O 1.236 0.354 0 O-C-N 123.622 0.577 . . . . 0.0 111.89 -179.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -62.67 124.83 14.83 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.376 2.051 . . . . 0.0 112.0 178.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.8 m -85.25 177.82 7.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.674 176.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.23 -49.28 77.75 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -172.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.5 m -79.92 -33.33 39.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.48 0.657 . . . . 0.0 109.89 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -60.25 -42.28 94.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.165 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.736 ' HG ' ' HE1' ' A' ' 132' ' ' PHE . 6.2 tt -70.23 -42.09 72.7 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.499 177.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -58.39 -39.57 80.02 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -175.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -92.65 8.37 39.38 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -174.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.64 74.61 10.24 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.384 0.612 . . . . 0.0 109.41 172.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.93 19.32 20.72 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.936 -171.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -119.76 86.82 36.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.842 0.353 . . . . 0.0 111.679 -177.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -65.34 156.55 62.62 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.939 2.426 . . . . 0.0 111.882 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.97 -28.76 13.75 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.651 -177.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -90.54 143.95 26.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.899 0.38 . . . . 0.0 110.614 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.5 m -92.01 132.19 36.73 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 175.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -106.44 119.69 39.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.022 0.439 . . . . 0.0 111.449 -174.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.451 HG21 HD13 ' A' ' 27' ' ' LEU . 58.5 t -96.05 121.66 46.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.64 173.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.4 mm -110.23 118.43 57.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.764 -178.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.701 HG13 ' HG ' ' A' ' 84' ' ' SER . 4.0 p -132.8 128.74 57.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.278 178.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.436 ' HB2' ' H ' ' A' ' 90' ' ' ALA . 21.5 t -88.97 107.51 19.06 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.944 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.482 ' HA ' ' HA ' ' A' ' 117' ' ' PRO . 40.1 t -105.36 116.26 48.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 177.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.489 ' C ' ' H ' ' A' ' 115' ' ' GLY . 56.0 mtp180 -125.33 120.02 29.99 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.202 -171.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 22.8 t70 72.08 -16.67 0.4 Allowed 'General case' 0 N--CA 1.472 0.664 0 O-C-N 123.845 0.716 . . . . 0.0 111.688 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.489 ' H ' ' C ' ' A' ' 113' ' ' ARG . . . 138.7 -11.98 3.43 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -177.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.411 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . . . -107.28 119.92 49.37 Favored Pre-proline 0 N--CA 1.453 -0.277 0 CA-C-O 120.727 0.299 . . . . 0.0 111.334 -178.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.482 ' HA ' ' HA ' ' A' ' 112' ' ' VAL . 4.4 Cg_exo -77.85 113.37 3.45 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 123.224 2.616 . . . . 0.0 111.216 173.131 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -83.31 -69.19 0.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.892 0.377 . . . . 0.0 111.381 -176.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.46 ' HB3' ' HB1' ' A' ' 90' ' ' ALA . . . -109.52 128.91 55.53 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.503 -175.198 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.66 124.4 50.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.398 175.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 28.2 p -138.07 137.83 38.17 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 -176.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -110.11 133.74 52.9 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.48 ' CZ3' ' HB2' ' A' ' 134' ' ' ARG . 60.3 m95 -133.04 140.62 47.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.814 -174.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.63 133.45 49.46 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 172.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 65.4 tp -85.06 140.71 30.79 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.698 -176.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.15 142.04 92.38 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 173.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -51.83 -40.57 65.87 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.881 2.387 . . . . 0.0 112.545 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -86.53 1.26 52.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.796 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 12.7 mtm180 61.24 30.43 19.2 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.856 -178.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.6 m -63.95 -43.99 94.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.241 177.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.08 -173.61 3.5 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.947 -177.59 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.736 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 59.9 m-85 -114.75 145.43 42.1 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.526 172.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -122.59 124.59 43.85 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.399 0.619 . . . . 0.0 110.071 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.48 ' HB2' ' CZ3' ' A' ' 123' ' ' TRP . 11.6 tpt180 -73.77 139.57 45.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.501 -1.227 . . . . 0.0 111.474 -174.191 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -131.24 156.27 45.68 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 175.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -96.93 165.72 11.96 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -178.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.47 HG23 HD12 ' A' ' 8' ' ' LEU . 47.2 mm -84.45 113.24 22.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.033 0.444 . . . . 0.0 110.99 -174.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 14.2 m -115.14 141.85 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.243 175.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -85.55 157.54 58.22 Favored Pre-proline 0 N--CA 1.442 -0.861 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.405 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 3' ' ' THR . 45.9 Cg_exo -55.07 115.34 2.37 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.135 1.89 . . . . 0.0 111.027 174.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -45.49 128.44 6.28 Favored Pre-proline 0 N--CA 1.461 0.12 0 O-C-N 123.823 0.702 . . . . 0.0 109.968 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -13.73 71.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.358 1.031 1 C-N-CA 126.489 4.793 . . . . 0.0 116.158 -164.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 46.76 36.41 3.81 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.802 178.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -76.9 116.91 61.16 Favored Pre-proline 0 C--N 1.31 -1.11 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.0 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -89.59 -170.92 0.47 Allowed 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 122.922 2.415 . . . . 0.0 111.697 177.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.406 HD11 ' N ' ' A' ' 146' ' ' LEU . 4.7 mp -81.5 104.33 11.85 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 176.17 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -60.34 -56.21 24.25 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.433 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -92.69 97.29 10.69 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 171.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -86.11 22.32 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.564 -172.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -81.75 29.88 0.38 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.289 0.566 . . . . 0.0 111.415 -174.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -102.77 4.67 38.19 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 170.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.49 149.02 16.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.344 -1.298 . . . . 0.0 108.54 178.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 72.0 t60 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.575 -0.726 . . . . 0.0 110.224 -179.234 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.525 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 16.7 ttt . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.774 0.321 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.503 ' HZ1' ' CG ' ' A' ' 33' ' ' ASP . 12.2 mptt -101.23 136.46 41.04 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 174.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.0 t -157.72 173.4 16.88 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 175.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.7 p -112.7 154.06 44.87 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.778 0.323 . . . . 0.0 110.927 -176.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.516 ' HA ' HD12 ' A' ' 8' ' ' LEU . 13.0 Cg_endo -57.4 -29.59 84.94 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.059 2.506 . . . . 0.0 112.165 178.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -60.63 -43.14 97.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.253 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.459 ' O ' HG13 ' A' ' 11' ' ' ILE . 49.5 mm -68.22 -43.41 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.393 176.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.528 HD13 HG23 ' A' ' 137' ' ' ILE . 85.4 mt -56.08 -42.25 76.43 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.119 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.664 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 27.2 t70 -67.64 -42.47 82.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.32 -179.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -58.56 -30.86 67.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.225 176.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 7' ' ' ILE . 70.5 mt -71.88 -50.27 39.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.815 0.34 . . . . 0.0 110.768 175.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.664 ' HG2' ' HA ' ' A' ' 9' ' ' ASP . 5.9 ptp180 -66.19 -37.04 84.65 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.947 -174.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.413 HG21 ' O ' ' A' ' 9' ' ' ASP . 70.6 t -64.36 -49.0 82.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-O 120.743 0.306 . . . . 0.0 110.737 -178.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -67.35 -28.86 68.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.615 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.63 -42.55 87.69 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.417 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.25 -34.44 65.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.128 0.489 . . . . 0.0 110.414 178.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -63.71 -37.37 87.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.694 176.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -107.41 48.72 0.83 Allowed 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.493 -178.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.732 ' CE2' ' HA ' ' A' ' 114' ' ' ASP . 67.1 t80 -90.64 142.0 27.55 Favored Pre-proline 0 C--N 1.326 -0.413 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 177.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.688 ' HA ' ' CD1' ' A' ' 19' ' ' TYR . 84.2 Cg_endo -83.97 -12.6 39.9 Favored 'Cis proline' 0 C--N 1.349 0.591 0 C-N-CA 123.751 -1.354 . . . . 0.0 113.548 2.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 7.8 pt-20 -168.82 114.79 0.61 Allowed 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.138 0.494 . . . . 0.0 111.536 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 28.2 mm-40 -168.35 8.04 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.07 174.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -146.66 39.23 1.1 Allowed Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 119.734 -1.222 . . . . 0.0 114.142 -171.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.0 p -83.8 -175.72 5.94 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 172.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.491 ' HA2' ' HB3' ' A' ' 45' ' ' ALA . . . 161.75 -162.62 34.16 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 119.69 -1.243 . . . . 0.0 113.391 177.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -112.1 160.06 17.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.894 0.378 . . . . 0.0 110.868 -175.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.0 mt -100.76 119.87 39.27 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.202 178.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.5 mt -104.87 134.2 48.39 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.79 -159.13 21.12 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 120.193 -1.003 . . . . 0.0 111.947 -177.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.458 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 0.7 OUTLIER -136.07 161.15 36.49 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 120.909 0.385 . . . . 0.0 110.631 -179.359 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.6 t -88.09 106.85 16.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 174.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.401 ' HB ' ' HD2' ' A' ' 38' ' ' ARG . 7.2 t -91.34 -40.26 11.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.274 -163.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.503 ' CG ' ' HZ1' ' A' ' 2' ' ' LYS . 4.0 m-20 -74.09 -11.43 60.31 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.694 0.759 . . . . 0.0 109.192 173.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.4 t70 70.46 9.7 7.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 113.721 -1.582 . . . . 0.0 108.713 -171.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -136.82 -24.45 0.47 Allowed Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 114.09 -1.413 . . . . 0.0 111.758 176.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -131.47 154.64 48.51 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.525 ' O ' ' HA ' ' A' ' 1' ' ' MET . 9.2 p30 -94.08 147.94 22.65 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 121.524 0.678 . . . . 0.0 112.232 -170.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 30' ' ' THR . 5.2 ptm180 -116.14 146.13 42.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.255 171.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.508 HG23 ' HE3' ' A' ' 1' ' ' MET . 82.0 t -103.59 119.72 52.61 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 176.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.57 -33.57 3.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.464 -175.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.72 133.86 51.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.164 0.507 . . . . 0.0 111.407 -176.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.2 mt -98.82 150.23 22.07 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.096 176.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -146.85 137.57 23.84 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 174.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -91.87 138.05 31.86 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.093 -175.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.491 ' HB3' ' HA2' ' A' ' 25' ' ' GLY . . . -64.48 120.94 13.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.042 0.449 . . . . 0.0 110.668 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.7 t -162.56 150.3 13.94 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.296 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -166.98 -45.86 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.615 -176.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 62.85 27.41 16.01 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.362 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? 73.83 -48.37 0.67 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 114.816 -1.084 . . . . 0.0 113.208 173.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.3 t 59.33 34.24 22.8 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 -173.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -60.55 -53.33 58.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 114.547 -1.206 . . . . 0.0 112.119 -170.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -98.66 144.13 28.28 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.779 0.323 . . . . 0.0 110.313 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -156.96 139.82 15.23 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.589 -177.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.0 m -66.55 -63.59 1.04 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -175.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -107.67 142.17 38.04 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 176.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 70.87 137.69 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.851 0.72 . . . . 0.0 110.409 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -103.17 -35.8 8.35 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 122.261 -0.274 . . . . 0.0 110.907 -177.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 64.92 -168.58 0.21 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.259 -178.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 60' ' ' THR . 2.9 pp -174.96 -30.78 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.976 -1.011 . . . . 0.0 108.726 176.07 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.548 ' N ' HD12 ' A' ' 59' ' ' LEU . 1.0 OUTLIER -94.56 67.06 3.33 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.247 172.308 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -121.18 19.16 11.54 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.63 178.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -65.72 165.92 11.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.777 -1.102 . . . . 0.0 111.307 -176.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -53.81 -37.61 63.71 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.158 0.504 . . . . 0.0 109.991 177.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -55.54 -43.01 75.41 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.57 178.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -35.77 81.85 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.899 -178.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.3 -44.42 87.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.861 0.362 . . . . 0.0 110.902 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.04 -35.45 76.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.083 175.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.19 -44.2 92.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.793 177.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.29 -47.8 82.52 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.423 176.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.65 -34.96 76.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.76 178.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.69 -51.62 67.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.835 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -64.82 -35.1 80.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.665 0.269 . . . . 0.0 111.09 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -62.24 -40.87 97.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.183 0.516 . . . . 0.0 111.94 176.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -83.27 -25.39 31.65 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.644 -177.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.33 30.14 11.32 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -173.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 71.7 mt -123.67 -173.85 2.84 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -176.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -141.11 171.8 13.56 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 171.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.0 t -85.23 107.96 16.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.943 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 35.3 m -93.71 -10.07 9.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.687 -173.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.459 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . 173.62 -168.8 41.8 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 119.795 -1.193 . . . . 0.0 113.15 179.395 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.5 t -137.52 156.68 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -131.66 137.2 48.23 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.4 0.619 . . . . 0.0 111.045 176.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.8 m170 -118.56 151.61 37.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.481 -178.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.8 p -104.96 130.97 53.03 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.853 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.449 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 0.7 OUTLIER -120.77 147.0 44.92 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.707 -179.388 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 2.7 Cg_exo -76.99 -162.45 0.17 Allowed 'Trans proline' 0 CA--C 1.531 0.332 0 C-N-CA 123.881 3.054 . . . . 0.0 113.174 -178.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.45 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 26.1 t70 -46.51 157.08 0.15 Allowed 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.219 1.008 . . . . 0.0 112.245 -179.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.483 ' HB3' ' HD2' ' A' ' 89' ' ' PRO . 41.0 m80 69.1 157.74 0.15 Allowed Pre-proline 0 N--CA 1.474 0.75 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.863 -170.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.483 ' HD2' ' HB3' ' A' ' 88' ' ' HIS . 19.7 Cg_endo -59.36 125.83 19.09 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.161 2.574 . . . . 0.0 112.587 -175.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.41 ' HB1' HG22 ' A' ' 109' ' ' ILE . . . -75.87 97.03 3.82 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.614 -174.447 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -110.08 146.44 34.19 Favored Pre-proline 0 C--N 1.318 -0.796 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 164.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -56.17 128.75 31.45 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.698 2.265 . . . . 0.0 113.342 -173.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.9 m -79.28 -179.19 6.61 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.702 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.589 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -60.87 -47.62 85.56 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.702 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 89.4 m -62.76 -31.93 72.97 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.699 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -57.24 -45.0 84.35 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.127 0.489 . . . . 0.0 109.924 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -70.05 -43.84 70.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.164 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.589 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 47.0 mt-10 -52.56 -40.39 62.52 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.424 -174.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -100.73 6.18 43.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.009 0.433 . . . . 0.0 111.171 -174.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.44 65.57 9.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.253 0.549 . . . . 0.0 110.765 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.532 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 1.2 m -99.21 26.71 5.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.431 -179.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -111.44 87.08 7.32 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.052 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.532 ' HD3' ' O ' ' A' ' 101' ' ' THR . 7.8 Cg_exo -72.48 124.01 9.54 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 122.632 2.221 . . . . 0.0 112.078 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 101.76 12.95 33.46 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.002 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.459 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 19.3 m-85 -112.15 148.1 34.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.802 0.334 . . . . 0.0 110.518 179.099 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 21.7 m -95.85 129.97 42.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.001 176.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.48 ' HH ' HD22 ' A' ' 125' ' ' LEU . 65.8 m-85 -106.37 111.45 24.04 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.848 0.356 . . . . 0.0 110.864 -177.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.0 t -99.06 124.71 52.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.009 0.433 . . . . 0.0 110.145 177.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.41 HG22 ' HB1' ' A' ' 90' ' ' ALA . 53.1 mt -120.26 121.69 66.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.83 178.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.47 HG23 ' HG ' ' A' ' 120' ' ' LEU . 7.2 p -103.68 134.42 44.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.453 0.644 . . . . 0.0 110.924 -177.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.6 m -85.84 106.82 17.34 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.035 178.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.1 t -113.43 114.8 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.057 0.456 . . . . 0.0 110.142 178.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -98.75 90.01 4.54 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.366 -179.137 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.732 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 17.4 t70 56.32 28.67 13.75 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.59 175.22 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 114.66 -7.92 22.12 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.54 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -106.8 101.57 37.6 Favored Pre-proline 0 C--N 1.322 -0.629 0 O-C-N 122.787 -0.243 . . . . 0.0 110.639 176.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -76.98 110.15 2.98 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 123.03 2.487 . . . . 0.0 111.227 177.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -92.92 -68.55 0.79 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.029 0.442 . . . . 0.0 111.471 -174.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -115.74 142.1 47.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.334 -174.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.47 ' HG ' HG23 ' A' ' 110' ' ' VAL . 6.6 mp -114.32 122.57 47.11 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.393 -0.821 . . . . 0.0 108.949 174.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 49.9 p -119.62 135.54 54.76 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.628 -175.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.79 138.47 46.11 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 121.153 0.501 . . . . 0.0 110.035 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.441 ' HB3' ' HB3' ' A' ' 132' ' ' PHE . 77.0 m95 -131.31 139.13 49.5 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.703 -175.285 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.3 132.95 49.99 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.57 174.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.48 HD22 ' HH ' ' A' ' 107' ' ' TYR . 60.1 tp -80.48 131.97 35.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.687 -177.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.35 143.33 98.71 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.799 175.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_exo -52.28 -39.57 72.01 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.953 2.435 . . . . 0.0 112.924 -177.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -92.11 10.29 29.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 -177.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 60.55 24.42 14.1 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.099 0.476 . . . . 0.0 110.677 -177.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.2 m -63.26 -38.35 90.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.846 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -171.74 -175.53 1.57 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.436 -175.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.441 ' HB3' ' HB3' ' A' ' 123' ' ' TRP . 63.2 m-85 -106.75 156.61 18.47 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 170.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -121.09 137.31 54.72 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 22.4 tpt85 -81.94 135.91 35.35 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 114.622 -1.172 . . . . 0.0 111.386 -172.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -146.8 155.99 42.78 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 114.741 -1.118 . . . . 0.0 108.913 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -106.77 171.44 7.36 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.528 HG23 HD13 ' A' ' 8' ' ' LEU . 50.4 mm -83.91 119.71 33.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.021 0.439 . . . . 0.0 111.043 -174.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 11.8 m -109.49 144.67 17.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.421 177.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -91.19 157.22 43.08 Favored Pre-proline 0 C--N 1.318 -0.803 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.122 -179.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -67.14 86.02 0.32 Allowed 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.201 1.934 . . . . 0.0 112.592 178.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -138.32 79.83 29.69 Favored Pre-proline 0 C--N 1.318 -0.798 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.973 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -82.93 39.75 0.87 Allowed 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 123.347 2.698 . . . . 0.0 112.343 -176.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -108.82 -10.21 15.14 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.122 -177.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.407 ' HA ' ' HD3' ' A' ' 145' ' ' PRO . . . -77.54 140.15 63.94 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.504 178.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 144' ' ' ALA . 35.3 Cg_exo -58.26 149.68 71.54 Favored 'Trans proline' 0 C--O 1.236 0.388 0 C-N-CA 122.936 2.424 . . . . 0.0 112.243 178.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.52 150.62 43.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.362 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -58.77 -64.04 1.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.575 0.547 . . . . 0.0 111.374 -176.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 16.6 m80 54.11 75.2 0.29 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.756 -174.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.09 99.96 0.4 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.415 -178.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -96.11 -8.95 31.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.358 -178.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -119.8 101.74 8.1 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.025 0.441 . . . . 0.0 111.306 177.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 36.6 t60 -76.85 -27.41 55.07 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.329 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.452 -0.785 . . . . 0.0 109.902 179.584 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.643 ' HA ' ' O ' ' A' ' 36' ' ' ASP . 20.8 ttt . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 120.686 0.279 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -100.5 122.14 42.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.393 176.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.519 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 9.7 t -158.64 167.01 30.69 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.827 175.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.2 p -98.85 153.84 37.66 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 120.838 0.351 . . . . 0.0 111.318 -176.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -54.53 -31.94 71.76 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.0 2.466 . . . . 0.0 111.937 174.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -61.75 -46.71 88.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.6 176.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.51 ' O ' HG13 ' A' ' 11' ' ' ILE . 44.9 mm -63.35 -44.46 99.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.22 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.28 -40.89 83.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.778 177.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -67.28 -43.55 81.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.401 178.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -56.6 -36.59 69.57 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.435 176.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 7' ' ' ILE . 81.3 mt -58.55 -47.0 89.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.084 0.469 . . . . 0.0 110.125 176.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.1 mtm180 -65.13 -46.78 79.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.123 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.0 t -69.03 -48.08 71.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.606 -176.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.24 -28.65 68.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.58 0.229 . . . . 0.0 110.951 -176.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.25 -43.49 98.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.509 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.511 ' HB1' ' HA2' ' A' ' 115' ' ' GLY . . . -73.24 -29.09 62.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.122 0.487 . . . . 0.0 110.491 177.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.86 -37.64 87.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.003 178.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.66 -38.95 80.82 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.677 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.773 ' HE2' ' HB ' ' A' ' 112' ' ' VAL . 23.1 m-30 -69.6 156.11 92.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.876 -176.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.438 ' HA ' ' HB3' ' A' ' 19' ' ' TYR . 2.8 Cg_exo -76.54 -3.14 25.32 Favored 'Cis proline' 0 C--N 1.347 0.456 0 C-N-CA 124.485 -1.048 . . . . 0.0 113.243 4.176 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -73.92 -173.19 1.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.264 177.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.81 -175.22 3.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.674 0.273 . . . . 0.0 111.049 178.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.99 91.79 1.62 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.47 -175.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.4 m -78.96 -163.8 0.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.695 0.283 . . . . 0.0 111.147 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -153.54 -171.81 21.08 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.346 -0.93 . . . . 0.0 112.711 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.437 ' HB3' HG13 ' A' ' 78' ' ' VAL . 94.9 m-85 -114.28 161.4 17.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.683 0.278 . . . . 0.0 110.808 -177.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.638 HD11 HG23 ' A' ' 108' ' ' VAL . 86.4 mt -94.51 122.63 37.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.72 178.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.526 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 58.3 mt -104.44 131.69 51.52 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.933 0.397 . . . . 0.0 110.183 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.543 ' HA2' HD13 ' A' ' 76' ' ' LEU . . . 175.34 -145.48 7.81 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 120.389 -0.91 . . . . 0.0 111.948 -179.107 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -135.98 152.29 50.8 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.701 0.286 . . . . 0.0 111.412 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.7 t -89.97 123.03 41.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 176.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -114.24 119.17 36.13 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -175.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.9 t70 56.71 -85.85 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 114.147 -1.388 . . . . 0.0 113.61 166.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -88.22 -20.64 25.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.017 0.437 . . . . 0.0 111.358 -174.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.2 22.69 7.04 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.44 -0.886 . . . . 0.0 111.044 -174.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.643 ' O ' ' HA ' ' A' ' 1' ' ' MET . 25.6 t70 -66.12 -35.95 81.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.478 0.656 . . . . 0.0 109.677 176.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 75.32 130.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.314 -1.312 . . . . 0.0 112.962 173.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 38' ' ' ARG . 36.7 ttt180 -112.19 106.5 15.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.775 -1.102 . . . . 0.0 109.486 -179.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.407 ' CG2' ' HE3' ' A' ' 1' ' ' MET . 76.4 t -98.88 115.67 39.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.193 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.43 2.9 10.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.993 -175.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.526 ' HB1' ' HB2' ' A' ' 28' ' ' LEU . . . -149.25 140.69 23.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.047 0.451 . . . . 0.0 111.583 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.0 mt -119.57 137.04 54.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.284 177.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -141.94 135.03 28.99 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.099 0.476 . . . . 0.0 110.2 177.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -79.57 138.65 37.54 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.93 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.59 95.79 1.13 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.173 0.511 . . . . 0.0 110.798 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.0 t -161.25 153.16 19.59 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.015 176.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -101.64 -85.01 0.43 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -175.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 61.86 104.53 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.326 0.584 . . . . 0.0 111.661 -176.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -143.22 -13.62 0.7 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -176.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.7 m 49.35 86.56 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.636 0.732 . . . . 0.0 112.178 -177.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -106.77 171.32 7.43 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.517 -173.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -162.38 -38.04 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.308 173.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -153.09 -85.22 0.07 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.178 174.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.9 m -107.13 101.39 10.8 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.524 -172.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -137.52 30.6 2.61 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 173.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 59.02 78.95 0.24 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.023 -169.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -73.29 141.36 47.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.403 -172.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -123.94 112.66 17.48 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.486 176.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.3 tp -52.34 -61.98 1.93 Allowed 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.083 -169.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.4 m -107.25 73.96 0.95 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.318 0.58 . . . . 0.0 110.441 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.556 ' HA ' ' HB2' ' A' ' 65' ' ' ARG . . . -119.82 78.85 1.37 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.09 177.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -112.71 -59.73 1.97 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.205 -176.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -115.68 -68.53 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.584 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -60.72 -52.41 65.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.647 -172.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.556 ' HB2' ' HA ' ' A' ' 61' ' ' ALA . 0.5 OUTLIER -58.43 -35.06 71.52 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -176.884 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.82 -39.22 80.14 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.959 0.409 . . . . 0.0 110.644 178.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.58 -36.93 76.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.925 174.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -59.95 -48.72 80.56 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.865 177.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -56.56 -52.74 63.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.763 178.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.73 -39.74 89.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.914 178.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.52 ' HB1' HD23 ' A' ' 28' ' ' LEU . . . -59.92 -49.54 77.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.657 178.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.91 -33.55 75.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.131 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 36.2 mm-40 -60.93 -43.47 98.58 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 175.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -76.89 -37.43 55.5 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 177.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.29 28.39 3.83 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 -177.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.543 HD13 ' HA2' ' A' ' 29' ' ' GLY . 61.6 mt -126.73 178.87 5.66 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -176.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -135.15 174.0 11.1 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 173.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.437 HG13 ' HB3' ' A' ' 26' ' ' PHE . 46.4 t -78.81 106.26 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.019 -179.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.6 m -101.15 -2.54 9.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.465 -176.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.497 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -179.94 -173.18 44.71 Favored Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 120.031 -1.081 . . . . 0.0 112.505 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.0 t -138.2 156.15 30.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -131.94 137.35 47.91 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.888 0.375 . . . . 0.0 110.255 176.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -130.7 132.76 45.56 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.249 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.521 ' HA ' ' O ' ' A' ' 110' ' ' VAL . 48.2 p -106.88 141.22 38.45 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.089 178.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -98.91 140.09 21.5 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 175.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -102.83 -4.13 0.28 Allowed 'Trans proline' 0 N--CA 1.455 -0.769 0 C-N-CA 123.224 2.616 . . . . 0.0 113.363 176.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -128.71 -65.67 0.87 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.08 -172.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -84.3 157.71 61.76 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.27 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.38 -164.14 0.13 Allowed 'Trans proline' 0 C--O 1.238 0.5 0 C-N-CA 123.161 2.574 . . . . 0.0 114.034 -173.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.21 -173.8 0.73 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.837 -178.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.476 ' HG3' ' CZ2' ' A' ' 123' ' ' TRP . 0.0 OUTLIER 66.16 144.65 0.09 OUTLIER Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.372 -173.234 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.63 137.63 27.92 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.579 2.186 . . . . 0.0 112.249 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 85.5 p -90.69 -178.48 5.29 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.972 178.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.553 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -58.12 -40.93 82.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.809 0.338 . . . . 0.0 110.358 174.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.427 ' HA ' ' OE1' ' A' ' 98' ' ' GLU . 4.6 m -64.73 -34.76 79.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -66.97 -40.26 87.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.007 0.432 . . . . 0.0 109.846 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.54 -40.69 97.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.62 175.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 51.3 mt-10 -57.42 -40.05 77.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.55 177.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -77.53 -18.41 57.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.348 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.63 93.59 6.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.121 0.486 . . . . 0.0 111.261 -177.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.1 m -123.93 18.42 9.32 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.762 0.791 . . . . 0.0 110.018 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.52 ' HB3' ' CD1' ' A' ' 105' ' ' PHE . 94.8 m-85 -117.62 87.2 25.33 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.944 177.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.432 ' HA ' HD23 ' A' ' 125' ' ' LEU . 16.4 Cg_exo -67.75 -5.55 14.63 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 123.042 2.495 . . . . 0.0 113.454 -174.318 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -114.36 19.96 16.55 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.091 178.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.52 ' CD1' ' HB3' ' A' ' 102' ' ' PHE . 7.7 m-85 -119.84 149.47 42.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.729 0.3 . . . . 0.0 110.663 -179.39 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.2 m -92.64 129.49 38.55 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.406 ' HH ' ' HD2' ' A' ' 102' ' ' PHE . 84.1 m-85 -105.7 114.2 28.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.086 0.469 . . . . 0.0 111.068 -177.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.638 HG23 HD11 ' A' ' 27' ' ' LEU . 99.5 t -96.25 120.43 45.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.13 177.148 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 49.0 mm -110.55 118.51 57.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.663 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.551 HG23 ' HB3' ' A' ' 120' ' ' LEU . 2.7 p -124.2 132.58 71.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.512 0.672 . . . . 0.0 111.035 -178.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.508 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 21.5 t -99.3 107.68 20.02 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.347 176.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.773 ' HB ' ' HE2' ' A' ' 19' ' ' TYR . 35.5 t -108.47 115.92 50.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -94.18 61.3 2.87 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -173.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 36.5 t70 54.97 82.36 0.1 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.165 -177.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.511 ' HA2' ' HB1' ' A' ' 16' ' ' ALA . . . 86.14 -30.99 4.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.639 179.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -101.48 106.06 43.83 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 120.898 0.38 . . . . 0.0 111.411 -178.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.455 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 14.7 Cg_exo -69.76 110.12 2.48 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.678 2.252 . . . . 0.0 111.795 178.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.508 ' HB3' ' HB3' ' A' ' 111' ' ' SER . 35.9 tt0 -70.3 -69.79 0.33 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.93 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -153.8 132.83 12.51 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.347 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.551 ' HB3' HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -119.76 139.7 51.89 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 174.271 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.7 m -149.76 156.8 42.45 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.875 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.5 133.4 53.13 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 176.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.476 ' CZ2' ' HG3' ' A' ' 91' ' ' ARG . 73.6 m95 -119.81 146.68 45.48 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.918 -174.045 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.08 126.99 51.63 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.203 175.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 103' ' ' PRO . 61.9 tp -81.09 135.25 35.79 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.56 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.55 125.37 79.43 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 172.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.43 ' HA ' ' HB3' ' A' ' 103' ' ' PRO . 12.4 Cg_endo -56.92 -21.87 43.19 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.841 2.361 . . . . 0.0 112.159 -178.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -83.04 -2.11 54.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.507 178.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 64.16 37.51 8.86 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.781 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.5 m -90.39 -52.24 5.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.29 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -163.41 -175.27 4.14 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.889 -175.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -105.62 149.58 26.19 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -128.21 150.66 49.93 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.913 0.387 . . . . 0.0 110.438 176.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -77.39 139.64 39.75 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.727 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -138.32 152.24 48.31 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 176.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -86.46 137.16 32.76 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.09 0.471 . . . . 0.0 111.259 -177.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 73.2 mt -86.02 115.43 27.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.806 177.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.5 155.63 13.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.744 -176.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.446 HH11 ' HD3' ' A' ' 139' ' ' ARG . 47.9 mtp180 -77.31 147.89 76.73 Favored Pre-proline 0 C--N 1.316 -0.852 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.308 177.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.519 ' HD3' ' O ' ' A' ' 3' ' ' THR . 33.5 Cg_exo -61.24 135.78 60.33 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.764 2.309 . . . . 0.0 111.753 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.13 121.3 70.98 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.752 -178.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -82.18 16.6 1.73 Allowed 'Trans proline' 0 CA--C 1.519 -0.258 0 C-N-CA 122.821 2.347 . . . . 0.0 113.603 -173.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -145.19 93.72 2.42 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 114.854 -1.066 . . . . 0.0 109.189 177.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.416 ' HA ' ' HD3' ' A' ' 145' ' ' PRO . . . -138.56 130.18 15.6 Favored Pre-proline 0 C--N 1.307 -1.257 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.392 -179.127 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 144' ' ' ALA . 11.5 Cg_exo -69.05 131.45 22.26 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.652 2.235 . . . . 0.0 111.4 176.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 84.0 mt -90.27 -46.44 8.41 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.245 -178.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -87.77 60.62 6.02 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-O 121.381 0.61 . . . . 0.0 111.042 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -62.89 138.54 58.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.432 175.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -77.52 74.19 4.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.646 0.736 . . . . 0.0 111.316 -173.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -160.66 64.08 0.31 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 173.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -79.18 76.63 5.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.148 -173.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -105.7 128.53 53.73 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.423 177.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 27.1 p80 . . . . . 0 C--O 1.247 0.943 0 CA-C-O 117.914 -1.041 . . . . 0.0 110.229 -179.862 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ttt . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.684 -0.117 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.52 ' HD2' ' OD2' ' A' ' 36' ' ' ASP . 0.5 OUTLIER -95.72 125.95 40.65 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 174.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.1 t -158.42 155.61 28.92 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.866 0.365 . . . . 0.0 110.367 175.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.7 p -82.84 154.91 68.08 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.063 -174.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -60.6 -29.63 88.88 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.591 2.194 . . . . 0.0 111.013 177.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.534 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 21.3 t70 -61.8 -49.16 77.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.71 175.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.583 ' O ' HG13 ' A' ' 11' ' ' ILE . 38.7 mm -66.38 -42.42 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.311 178.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.662 HD21 HG23 ' A' ' 137' ' ' ILE . 77.1 mt -57.13 -43.75 82.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.008 176.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.497 ' O ' HG23 ' A' ' 13' ' ' VAL . 22.2 t70 -62.55 -43.99 97.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.152 178.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 70.4 mt-30 -60.85 -34.79 75.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.144 178.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.583 HG13 ' O ' ' A' ' 7' ' ' ILE . 66.4 mt -65.47 -41.26 90.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-O 120.866 0.365 . . . . 0.0 110.216 176.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -65.24 -49.55 69.22 Favored 'General case' 0 N--CA 1.435 -1.19 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.615 177.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 9' ' ' ASP . 66.6 t -58.21 -35.6 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.408 178.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.491 ' HE1' ' O ' ' A' ' 23' ' ' GLY . 31.6 t-80 -53.68 -29.95 41.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.522 178.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.7 -49.83 74.24 Favored Glycine 0 C--O 1.226 -0.35 0 C-N-CA 120.476 -0.869 . . . . 0.0 111.968 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.89 -40.57 54.17 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.209 0.528 . . . . 0.0 111.048 176.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -66.3 -38.6 88.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.423 -172.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.486 ' O ' ' HB2' ' A' ' 21' ' ' GLU . . . -80.77 -38.2 28.97 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.627 -177.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -69.31 149.13 97.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.719 -174.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -79.83 -1.98 39.0 Favored 'Cis proline' 0 CA--C 1.533 0.469 0 C-N-CA 124.488 -1.047 . . . . 0.0 113.832 4.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.486 ' HB2' ' O ' ' A' ' 18' ' ' ALA . 7.9 mm-40 -65.69 -165.62 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.442 0 CA-C-O 121.043 0.449 . . . . 0.0 111.691 -178.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.47 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 9.7 tp10 -58.29 129.73 43.37 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.186 0.517 . . . . 0.0 111.752 -175.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.491 ' O ' ' HE1' ' A' ' 14' ' ' HIS . . . -108.92 -3.25 31.92 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.161 -178.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 38.8 m -92.68 162.91 13.96 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.985 0.422 . . . . 0.0 110.685 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -179.76 -174.31 45.58 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.099 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -123.87 148.92 46.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.725 0.297 . . . . 0.0 110.604 -176.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.5 mt -94.92 120.62 35.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.902 178.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.45 HD22 ' HB1' ' A' ' 71' ' ' ALA . 72.8 mt -105.25 132.2 51.75 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.87 -154.24 10.54 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.083 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.03 159.98 40.02 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.604 HG13 ' HA ' ' A' ' 34' ' ' ASP . 25.9 t -98.46 117.58 43.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-O 121.398 0.618 . . . . 0.0 109.959 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.6 m -81.37 111.4 17.7 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.755 -175.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 t70 64.83 7.02 3.63 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.046 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.604 ' HA ' HG13 ' A' ' 31' ' ' VAL . 26.4 t70 65.13 17.5 11.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.2 -175.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.2 -42.89 2.91 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.537 177.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.52 ' OD2' ' HD2' ' A' ' 2' ' ' LYS . 42.3 t0 -145.96 158.26 43.87 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.413 ' HA ' ' HA ' ' A' ' 31' ' ' VAL . 8.6 p30 -102.77 147.21 27.14 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.08 0.467 . . . . 0.0 110.992 -174.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 3.8 ptm180 -116.55 147.68 41.59 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.575 0.703 . . . . 0.0 110.213 174.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 55.7 t -97.61 131.21 45.04 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.25 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.155 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.18 -23.11 6.89 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.308 -177.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -153.1 145.23 23.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.873 0.368 . . . . 0.0 110.944 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.6 mt -101.25 131.96 47.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.813 177.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -118.4 122.22 42.26 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.687 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -89.76 139.82 30.19 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.871 176.041 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.456 ' HB3' ' HG2' ' A' ' 22' ' ' GLU . . . -64.91 105.07 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.015 0.436 . . . . 0.0 110.928 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.9 t -158.88 178.38 10.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.296 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -84.7 164.95 18.28 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.014 0.435 . . . . 0.0 110.907 -176.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -148.93 -67.09 0.22 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.639 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.748 ' HG3' HD12 ' A' ' 59' ' ' LEU . 39.9 ttm180 62.81 87.36 0.1 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.283 0.564 . . . . 0.0 110.498 -177.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.8 m -84.37 127.37 33.95 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.291 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.31 103.05 13.48 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -178.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -152.34 103.26 2.83 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.786 177.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -57.96 99.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.877 -178.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.769 HG23 ' H ' ' A' ' 55' ' ' ARG . 1.8 m -137.31 -168.25 2.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.739 -177.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.769 ' H ' HG23 ' A' ' 54' ' ' THR . 21.6 tpt180 -57.65 103.51 0.14 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.663 0.385 . . . . 0.0 111.564 178.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 63.88 149.54 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.349 1.06 . . . . 0.0 111.584 -177.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -92.41 114.87 27.53 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.298 0.571 . . . . 0.0 110.665 177.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -133.03 86.97 2.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.744 0.783 . . . . 0.0 109.633 174.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.748 HD12 ' HG3' ' A' ' 49' ' ' ARG . 2.1 pt? -116.96 11.87 14.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.079 -172.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 16.3 m -73.98 100.22 3.49 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.699 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.66 88.53 5.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -113.93 94.05 4.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.99 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 44.77 -87.23 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.406 1.082 . . . . 0.0 113.546 175.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -62.37 -43.44 98.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.135 -178.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.83 -35.75 81.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.434 179.248 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.96 -36.89 80.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.916 0.388 . . . . 0.0 110.773 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.22 -41.35 77.14 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 173.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -55.61 -48.87 74.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.485 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -59.71 -53.55 56.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.052 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.42 -32.62 74.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.824 0.345 . . . . 0.0 111.199 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.45 ' HB1' HD22 ' A' ' 28' ' ' LEU . . . -65.51 -51.43 60.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.842 178.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -65.71 -31.64 72.76 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 122.957 0.161 . . . . 0.0 110.864 -178.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 38.9 mt-10 -57.83 -43.63 85.92 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.071 0.462 . . . . 0.0 111.062 172.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -87.98 -9.45 53.49 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.784 -177.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.61 28.09 52.56 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.777 -177.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 64.7 mt -120.83 179.26 4.41 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -177.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -141.34 -179.87 6.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.786 0.327 . . . . 0.0 110.173 173.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.0 t -81.84 106.84 13.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.283 -178.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.1 m -93.45 -23.18 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.041 0.448 . . . . 0.0 111.121 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -165.59 177.28 40.9 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.13 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.2 t -135.54 156.66 38.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -140.06 139.15 35.85 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.257 0.551 . . . . 0.0 111.261 179.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -147.49 131.61 17.33 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.142 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.458 ' HB3' HG11 ' A' ' 110' ' ' VAL . 24.3 p -106.39 149.71 26.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.63 -173.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -162.11 143.82 8.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.291 173.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.518 ' HB3' ' O ' ' A' ' 112' ' ' VAL . 94.6 Cg_endo -92.18 69.65 0.8 Allowed 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 123.516 2.811 . . . . 0.0 113.37 -175.194 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 6.6 p-10 -160.84 154.72 22.56 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 177.134 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 87' ' ' ASP . 72.8 m80 66.56 157.28 0.13 Allowed Pre-proline 0 N--CA 1.468 0.461 0 O-C-N 123.898 0.749 . . . . 0.0 110.94 -174.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -73.17 74.09 3.09 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.593 2.195 . . . . 0.0 111.823 176.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 44.83 72.51 0.2 Allowed 'General case' 0 N--CA 1.465 0.301 0 O-C-N 124.1 0.875 . . . . 0.0 111.887 -179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.515 ' HB2' ' HD2' ' A' ' 92' ' ' PRO . 19.3 ptp180 -162.88 161.76 18.82 Favored Pre-proline 0 N--CA 1.451 -0.415 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.179 -178.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.515 ' HD2' ' HB2' ' A' ' 91' ' ' ARG . 44.8 Cg_endo -69.17 146.37 63.62 Favored 'Trans proline' 0 C--O 1.238 0.5 0 C-N-CA 122.492 2.128 . . . . 0.0 112.932 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.0 m -97.48 -168.85 1.75 Allowed 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.06 173.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.471 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -65.26 -47.35 77.01 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.911 -0.315 . . . . 0.0 110.546 -179.322 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.3 m -60.96 -38.76 87.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.428 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -56.32 -45.29 80.38 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.295 0.569 . . . . 0.0 109.976 177.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.401 ' HA ' ' HE2' ' A' ' 132' ' ' PHE . 7.3 tt -70.49 -43.56 69.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.645 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 54.3 mt-10 -64.31 -26.29 68.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.104 -174.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -95.26 4.39 53.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.757 0.313 . . . . 0.0 111.373 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -92.71 68.41 4.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.414 0.626 . . . . 0.0 110.55 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.75 4.88 53.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.072 -178.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -126.92 85.66 60.51 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.518 -175.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.69 161.16 47.04 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.613 2.208 . . . . 0.0 111.994 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.88 -19.64 52.46 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.728 -177.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -90.64 154.2 19.75 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 176.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 90.5 m -91.84 124.5 36.01 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.412 ' CE2' ' HB2' ' A' ' 125' ' ' LEU . 47.6 m-85 -97.97 108.93 21.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.987 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 61.6 t -101.44 120.77 51.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.083 0.468 . . . . 0.0 109.985 177.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.2 mt -119.45 125.71 74.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.741 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.805 ' HB ' HD21 ' A' ' 120' ' ' LEU . 4.1 p -118.55 131.17 72.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-O 121.138 0.494 . . . . 0.0 109.757 178.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.5 t -82.17 105.98 13.7 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.518 ' O ' ' HB3' ' A' ' 86' ' ' PRO . 60.5 t -110.58 114.8 48.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -95.62 59.31 2.09 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.445 0.641 . . . . 0.0 109.758 -173.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.3 t70 58.69 81.96 0.15 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 114.325 -1.307 . . . . 0.0 111.103 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.448 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 87.84 -22.59 17.07 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.618 179.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -107.52 100.95 37.05 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-O 120.735 0.303 . . . . 0.0 111.624 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.448 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 3.4 Cg_exo -75.53 115.53 4.24 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.84 2.36 . . . . 0.0 111.135 176.117 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -83.8 -72.5 0.46 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.214 -175.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -139.94 151.37 45.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.076 0.465 . . . . 0.0 111.773 -175.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.805 HD21 ' HB ' ' A' ' 110' ' ' VAL . 37.9 mt -101.56 129.73 47.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.939 175.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 20.9 p -131.55 131.68 43.54 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.763 0.316 . . . . 0.0 110.883 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.45 133.58 52.9 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 176.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.511 ' CZ3' ' HB2' ' A' ' 134' ' ' ARG . 61.2 m95 -126.79 139.88 52.78 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.339 -172.052 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -106.62 132.38 52.69 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.504 174.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 129' ' ' ARG . 59.0 tp -80.68 137.56 36.32 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.437 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -67.57 150.16 97.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.801 174.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -52.25 -32.74 51.99 Favored 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 123.044 2.496 . . . . 0.0 113.7 -175.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.496 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 27.9 t70 -98.3 14.23 28.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.659 0.266 . . . . 0.0 110.919 -176.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.518 ' HA ' HD12 ' A' ' 125' ' ' LEU . 6.7 ptp180 51.24 29.41 4.9 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.439 1.096 . . . . 0.0 112.656 174.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.7 p -94.81 -26.61 16.15 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -178.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -153.84 169.18 24.03 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.044 0.45 . . . . 0.0 111.344 178.015 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.401 ' HE2' ' HA ' ' A' ' 97' ' ' LEU . 88.9 m-85 -113.47 152.08 30.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.607 177.031 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -126.5 136.36 52.5 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 169.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.511 ' HB2' ' CZ3' ' A' ' 123' ' ' TRP . 9.9 ttt180 -75.57 146.08 40.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.24 0.543 . . . . 0.0 111.97 -172.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -128.74 154.76 46.03 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 176.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -98.39 148.17 23.96 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.964 0.411 . . . . 0.0 110.45 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.662 HG23 HD21 ' A' ' 8' ' ' LEU . 3.8 mp -84.25 128.71 38.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.925 -178.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 15.6 m -109.31 144.79 16.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.735 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 139' ' ' ARG . 4.4 mpt_? -83.37 133.39 47.46 Favored Pre-proline 0 N--CA 1.446 -0.653 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 176.188 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.02 158.39 47.92 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.475 2.117 . . . . 0.0 112.175 -175.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -54.35 131.72 61.97 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.243 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -74.01 41.88 0.69 Allowed 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.335 2.69 . . . . 0.0 113.946 -171.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -122.35 -25.56 4.79 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.041 175.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -85.13 148.66 50.9 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.277 -177.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.49 142.24 95.27 Favored 'Trans proline' 0 C--O 1.239 0.557 0 C-N-CA 122.803 2.335 . . . . 0.0 112.05 175.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 63.4 mt -70.34 -74.33 0.14 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.316 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -98.43 153.03 18.88 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 175.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 73.33 118.07 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.51 0.672 . . . . 0.0 112.185 178.299 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -85.85 -10.72 54.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.65 176.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -115.33 145.1 42.82 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 176.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -87.25 14.13 8.39 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -172.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 31.9 p80 -138.96 161.94 36.1 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 174.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 12.3 p80 . . . . . 0 C--O 1.244 0.804 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.338 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.422 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.44 ' HZ1' ' CG ' ' A' ' 36' ' ' ASP . 13.5 mptt -96.97 118.77 34.12 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.893 0.378 . . . . 0.0 111.125 -177.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.422 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 10.9 t -160.15 173.16 16.2 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 175.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.447 ' OG1' HG12 ' A' ' 7' ' ' ILE . 37.7 p -94.1 148.18 34.71 Favored Pre-proline 0 C--N 1.321 -0.665 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.698 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.71 -25.84 80.35 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.97 2.446 . . . . 0.0 111.694 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 33.0 t70 -61.93 -42.5 99.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.481 176.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.549 ' O ' HG13 ' A' ' 11' ' ' ILE . 44.6 mm -61.86 -44.22 98.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.146 176.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.516 HD13 HG23 ' A' ' 137' ' ' ILE . 83.3 mt -56.29 -44.1 79.5 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.008 178.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -65.37 -43.85 89.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.305 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 46.7 mt-30 -61.38 -36.16 79.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.119 178.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.549 HG13 ' O ' ' A' ' 7' ' ' ILE . 80.1 mt -59.17 -45.43 92.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.751 0.31 . . . . 0.0 110.236 175.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.02 -49.17 78.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.764 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 65.3 t -63.34 -48.5 87.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 -178.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.518 ' HB3' ' HD3' ' A' ' 44' ' ' ARG . 18.7 m-70 -66.65 -27.83 67.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.345 -179.575 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.2 -43.16 81.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.876 176.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.04 -28.35 63.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.19 0.519 . . . . 0.0 110.237 176.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -65.55 -38.56 89.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.632 175.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.82 -42.0 91.13 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.992 -1.003 . . . . 0.0 111.108 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -63.96 151.54 89.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.741 178.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -78.93 -3.88 36.28 Favored 'Cis proline' 0 C--O 1.234 0.312 0 C-N-CA 124.071 -1.22 . . . . 0.0 113.309 2.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -68.96 -176.86 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.089 0.471 . . . . 0.0 111.142 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -81.33 143.68 32.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.331 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -122.64 -110.37 2.03 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.358 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.3 p 50.43 -173.51 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.302 1.041 . . . . 0.0 112.562 -177.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 145.65 -166.81 27.73 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.023 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -111.44 157.08 20.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.961 0.41 . . . . 0.0 111.384 -176.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.0 mt -99.66 128.83 45.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.088 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.495 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 84.1 mt -104.47 138.42 40.88 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.02 0.438 . . . . 0.0 110.609 -177.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.65 -149.89 8.45 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.499 ' HA ' ' OD1' ' A' ' 77' ' ' ASP . 0.7 OUTLIER -137.52 145.31 42.8 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 117.261 0.531 . . . . 0.0 111.464 175.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.5 t -90.8 124.02 43.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.318 176.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.9 p -72.87 173.84 8.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.109 0.48 . . . . 0.0 111.278 -174.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -84.88 -6.77 59.35 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.312 -176.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -100.59 -29.46 12.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.557 179.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.62 -2.35 4.51 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 119.999 -1.096 . . . . 0.0 112.958 178.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.44 ' CG ' ' HZ1' ' A' ' 2' ' ' LYS . 4.4 m-20 -78.32 154.57 30.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.001 0.429 . . . . 0.0 110.914 176.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.514 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 84.6 m-20 -115.48 123.77 49.4 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.135 -0.938 . . . . 0.0 108.851 176.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -115.76 139.6 50.01 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.717 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.8 t -105.67 123.12 59.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.403 -175.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.27 -25.11 7.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.804 -177.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.495 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -144.02 163.46 33.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.807 0.336 . . . . 0.0 111.384 -176.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.1 mt -123.07 152.18 41.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.12 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -134.62 121.93 21.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.743 0.306 . . . . 0.0 110.289 176.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.518 ' HD3' ' HB3' ' A' ' 14' ' ' HIS . 76.1 mtm180 -109.07 132.12 54.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.714 176.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.92 103.76 0.62 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.225 0.536 . . . . 0.0 110.712 177.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.9 m -126.98 129.79 48.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.167 -175.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -164.03 152.67 13.38 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 174.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -139.56 75.65 1.52 Allowed 'General case' 0 C--N 1.32 -0.679 0 O-C-N 123.15 0.281 . . . . 0.0 110.337 176.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 49' ' ' ARG . 23.6 ttm180 59.18 28.37 17.65 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.543 0.687 . . . . 0.0 109.229 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.7 m -67.45 129.57 40.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.743 -171.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 69.62 158.72 0.17 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.497 177.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -101.89 104.17 14.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.264 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.526 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 4.5 tmt_? -79.88 76.91 6.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.661 0.743 . . . . 0.0 109.372 177.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.2 m -91.35 42.75 1.11 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.143 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.534 ' HD2' ' O ' ' A' ' 55' ' ' ARG . 1.5 tmm_? 61.93 31.8 18.03 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.859 0.838 . . . . 0.0 109.435 -174.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -103.39 162.85 12.67 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.296 176.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 27.1 p90 51.68 166.24 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.773 0 O-C-N 124.753 1.283 . . . . 0.0 113.783 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -116.11 -1.93 12.34 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.596 176.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.1 tt -79.14 85.95 4.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.641 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.4 p -100.08 -77.27 0.53 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.467 ' HB1' ' HB2' ' A' ' 65' ' ' ARG . . . 69.15 159.41 0.18 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.906 0.86 . . . . 0.0 112.68 175.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.85 -74.59 0.54 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.068 170.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -149.81 -28.86 0.24 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.686 170.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 94.2 t80 -56.27 -51.57 67.65 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.261 -177.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.467 ' HB2' ' HB1' ' A' ' 61' ' ' ALA . 46.1 mtp85 -61.25 -36.89 81.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.561 0.22 . . . . 0.0 111.493 -177.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.86 -44.13 73.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.739 0.304 . . . . 0.0 110.709 178.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.427 ' HB2' HD21 ' A' ' 28' ' ' LEU . . . -64.5 -39.53 93.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.208 176.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -61.76 -45.86 92.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.605 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.548 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -61.68 -53.31 57.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.625 178.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.91 -32.37 71.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.975 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.494 ' HB1' HD23 ' A' ' 28' ' ' LEU . . . -64.27 -51.68 62.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.184 176.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -36.6 78.56 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 123.234 0.334 . . . . 0.0 110.657 179.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.548 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 99.3 mt-10 -59.75 -39.33 84.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.22 176.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -93.17 -3.64 53.55 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.049 -178.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.59 23.13 60.8 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.462 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.0 mt -114.24 175.4 5.49 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 122.613 0.365 . . . . 0.0 110.025 -179.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.499 ' OD1' ' HA ' ' A' ' 30' ' ' THR . 5.1 p-10 -137.78 -175.07 3.96 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 174.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.7 t -98.05 107.99 21.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.796 0.332 . . . . 0.0 110.278 -178.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.514 ' HB ' ' HB3' ' A' ' 37' ' ' ASN . 29.6 m -93.41 -13.45 8.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.757 -176.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.404 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -178.79 -174.64 45.18 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 120.03 -1.081 . . . . 0.0 112.722 -179.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.1 t -136.8 154.78 32.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.495 ' OH ' ' HG2' ' A' ' 44' ' ' ARG . 18.6 p90 -127.28 136.29 51.76 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.066 176.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.401 ' HB2' HG12 ' A' ' 109' ' ' ILE . 57.8 m170 -110.88 143.56 41.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.701 -176.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.4 m -105.73 126.58 52.32 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -117.72 154.2 50.91 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.623 -179.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -74.78 -161.78 0.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 123.245 2.63 . . . . 0.0 110.758 170.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -49.14 -33.06 11.23 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 176.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -53.35 151.32 10.2 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.941 178.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -37.39 145.33 0.12 Allowed 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 124.867 3.712 . . . . 0.0 115.557 -174.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.11 7.04 29.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.526 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.91 148.1 34.17 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.248 175.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.45 122.97 12.56 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.843 2.362 . . . . 0.0 112.713 -177.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.3 t -88.69 -174.91 4.73 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.507 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -57.75 -48.8 78.61 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -173.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.2 m -74.98 -33.65 61.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.113 0.482 . . . . 0.0 110.682 -177.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -62.94 -40.4 97.53 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.724 ' HG ' ' HE1' ' A' ' 132' ' ' PHE . 7.6 tt -69.24 -37.55 78.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.382 177.193 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 37.9 mt-10 -60.63 -32.69 71.84 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -177.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -87.67 -6.73 58.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.802 0.334 . . . . 0.0 111.577 -178.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.0 76.77 10.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.5 0.667 . . . . 0.0 109.717 175.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.417 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 6.2 t -98.6 -13.41 20.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.036 -175.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -116.48 86.54 18.4 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.892 -176.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 101' ' ' THR . 18.8 Cg_exo -65.3 172.83 7.06 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.951 2.434 . . . . 0.0 112.466 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 95.66 -35.18 4.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 111.576 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.404 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 35.8 m-85 -75.57 149.23 38.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.793 0.33 . . . . 0.0 110.117 175.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.7 m -92.04 123.34 35.33 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 177.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -100.55 115.43 30.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.931 0.396 . . . . 0.0 110.852 -177.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' A' ' 82' ' ' TYR . 58.7 t -104.58 126.38 59.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.191 176.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.401 HG12 ' HB2' ' A' ' 83' ' ' HIS . 54.4 mt -122.78 131.42 73.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 120.741 0.305 . . . . 0.0 110.227 -178.097 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.0 p -127.15 128.28 70.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.32 0.581 . . . . 0.0 111.099 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.4 m -87.89 111.88 21.92 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.523 175.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.482 ' HA ' ' HA ' ' A' ' 117' ' ' PRO . 40.8 t -107.27 115.65 49.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.631 179.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -94.0 92.08 7.18 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.03 -177.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.5 t70 54.14 49.0 19.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.98 177.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 91.94 0.61 71.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.832 177.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -117.22 99.51 52.75 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.802 0.334 . . . . 0.0 110.944 177.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.482 ' HA ' ' HA ' ' A' ' 112' ' ' VAL . 14.1 Cg_exo -69.45 117.02 4.81 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.892 2.394 . . . . 0.0 111.318 178.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -100.64 -69.96 0.75 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.921 -177.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -102.23 121.92 43.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.895 -176.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.6 tt -120.45 121.35 38.31 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 175.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.0 m -136.67 157.04 47.7 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.913 0.387 . . . . 0.0 110.974 -175.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -122.3 139.02 54.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.192 0.52 . . . . 0.0 109.943 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -132.02 145.16 51.27 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.483 -172.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -108.75 132.35 54.05 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.654 173.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 67.2 tp -88.22 130.31 35.11 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.95 144.8 90.06 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.875 176.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.92 -30.06 84.45 Favored 'Trans proline' 0 N--CA 1.473 0.28 0 C-N-CA 122.79 2.327 . . . . 0.0 112.584 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -88.44 0.7 55.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.463 -179.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 57.14 29.94 17.46 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.404 -176.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 25.8 t -68.19 -46.17 71.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.978 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -165.21 -177.52 4.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.895 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.724 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 63.5 m-85 -106.59 146.3 30.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.838 176.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -124.11 136.72 54.42 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 174.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -57.36 138.68 54.63 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.12 -178.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -127.44 148.95 50.3 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 174.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -96.62 146.22 25.04 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.757 -177.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.516 HG23 HD13 ' A' ' 8' ' ' LEU . 4.1 mp -85.32 114.93 26.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 175.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 10.4 m -110.91 150.53 13.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.598 -178.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 46.9 mtt180 -84.38 152.39 60.89 Favored Pre-proline 0 C--N 1.315 -0.892 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.529 -177.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 3' ' ' THR . 45.7 Cg_exo -55.52 102.84 0.1 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.353 2.035 . . . . 0.0 112.567 178.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -111.92 87.51 8.71 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.525 174.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -87.4 22.94 0.85 Allowed 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 122.631 2.221 . . . . 0.0 112.711 -175.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -133.71 1.65 3.37 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.781 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -81.06 146.18 58.32 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.727 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -65.58 144.38 78.61 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.684 2.256 . . . . 0.0 112.63 178.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -88.61 151.71 22.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.761 -178.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.486 ' OE1' ' HB2' ' A' ' 149' ' ' HIS . 0.4 OUTLIER -87.0 133.05 33.62 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 179.57 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -130.96 15.0 5.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.126 0.489 . . . . 0.0 111.173 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . 0.486 ' HB2' ' OE1' ' A' ' 147' ' ' GLU . 86.0 m-70 -83.37 139.67 32.87 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 121.724 -0.61 . . . . 0.0 109.866 175.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -139.23 136.96 35.53 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.93 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 29.1 p-80 -86.93 97.55 10.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.754 0.788 . . . . 0.0 111.087 -174.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -122.07 117.85 27.3 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.985 178.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 74.3 t60 . . . . . 0 C--O 1.245 0.84 0 CA-C-O 118.532 -0.747 . . . . 0.0 109.654 179.444 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.427 ' HB2' HG21 ' A' ' 106' ' ' THR . 22.4 ttt . . . . . 0 N--CA 1.476 0.843 0 CA-C-O 121.171 0.51 . . . . 0.0 111.265 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -90.24 137.21 32.53 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 170.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.49 HG21 HD21 ' A' ' 8' ' ' LEU . 8.9 t -154.73 149.32 26.39 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 120.87 0.367 . . . . 0.0 110.67 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.7 p -99.27 153.14 37.93 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.517 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.55 -35.09 65.55 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 123.378 2.718 . . . . 0.0 112.983 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 5.1 p-10 -65.04 -38.33 90.52 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.098 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.559 ' O ' HG13 ' A' ' 11' ' ' ILE . 40.4 mm -70.13 -44.61 77.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.746 0.308 . . . . 0.0 110.296 178.683 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.49 HD21 HG21 ' A' ' 3' ' ' THR . 88.2 mt -54.76 -43.26 72.58 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.588 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.642 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 24.1 t70 -68.47 -42.89 78.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.104 0.478 . . . . 0.0 110.39 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 50.3 mt-30 -59.93 -30.31 68.97 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.268 177.684 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' ' 7' ' ' ILE . 76.4 mt -65.01 -50.48 74.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.458 0.171 . . . . 0.0 110.648 176.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.642 ' HG2' ' O ' ' A' ' 9' ' ' ASP . 4.8 ptm180 -65.61 -35.07 79.73 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 120.625 0.25 . . . . 0.0 110.792 -179.189 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 9' ' ' ASP . 93.6 t -65.28 -38.98 83.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 120.768 0.318 . . . . 0.0 110.554 176.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -65.22 -28.83 69.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.036 177.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.16 -40.7 96.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.344 174.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.52 -26.41 60.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.886 0.375 . . . . 0.0 110.48 176.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -74.16 -38.9 63.56 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.684 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.88 -44.66 72.81 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.938 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -69.03 149.77 97.71 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.22 -178.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -79.79 -2.52 39.13 Favored 'Cis proline' 0 C--N 1.345 0.365 0 C-N-CA 124.077 -1.218 . . . . 0.0 113.812 5.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -65.79 164.14 15.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.218 0.532 . . . . 0.0 111.342 -177.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -93.41 97.94 10.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.735 -177.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -151.18 142.4 9.48 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.697 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.2 p -102.48 -164.59 1.1 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 175.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.589 ' HA3' ' CZ ' ' A' ' 82' ' ' TYR . . . -141.99 150.02 21.67 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.208 -0.996 . . . . 0.0 112.214 178.636 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -109.7 148.16 31.87 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.833 0.349 . . . . 0.0 110.159 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.6 mt -103.88 113.96 27.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.04 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.512 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 66.7 mt -107.46 132.94 52.66 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 178.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.554 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . -169.02 -160.08 16.26 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 119.304 -1.427 . . . . 0.0 114.069 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.5 p -117.28 160.09 21.65 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.193 -0.503 . . . . 0.0 110.792 -176.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.4 t -90.81 115.35 29.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.0 p -69.33 162.92 26.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.476 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -63.4 -19.18 64.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.303 -176.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -75.31 -17.76 60.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.12 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.28 -2.06 59.23 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.485 -173.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -92.68 169.01 10.83 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -102.27 143.5 31.97 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.057 -0.402 . . . . 0.0 111.734 -176.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.554 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 66.8 ttt180 -115.6 127.59 55.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.863 170.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 55.1 t -81.93 121.68 35.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.02 -22.58 6.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.163 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.512 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -133.8 148.61 51.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.432 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.0 mt -127.0 142.1 51.63 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.806 -177.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -150.37 122.65 8.38 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.943 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.466 ' HA ' ' HA2' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -91.53 139.65 30.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.525 -178.276 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 CA-C-O 121.351 0.596 . . . . 0.0 110.949 -179.803 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.7 t70 . . . . . 0 C--O 1.233 0.209 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -53.02 -46.1 68.24 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -64.33 -40.69 96.4 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-O 120.907 0.384 . . . . 0.0 111.243 -178.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.92 -38.41 90.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.613 176.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.19 -34.81 75.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.382 176.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.64 -46.3 90.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.363 176.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.52 -45.52 86.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.884 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.44 -33.34 74.61 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.801 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.46 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -61.65 -49.4 76.69 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.135 175.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -62.78 -36.45 83.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.005 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -58.93 -34.66 71.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.242 0.544 . . . . 0.0 111.565 175.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -92.49 -4.12 54.1 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.548 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.48 28.38 59.74 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.448 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.9 mt -125.64 -173.19 2.77 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.441 ' HA ' ' HB1' ' A' ' 71' ' ' ALA . 3.4 p-10 -147.78 176.27 10.26 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 169.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.4 t -80.83 105.57 10.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.267 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.4 m -95.3 -10.28 9.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.307 -176.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.471 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -174.14 176.64 46.55 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.434 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 107' ' ' TYR . 4.0 t -139.39 156.64 27.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.589 ' CZ ' ' HA3' ' A' ' 25' ' ' GLY . 35.7 p90 -144.57 147.85 33.67 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.002 0.43 . . . . 0.0 110.711 177.131 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -147.29 142.47 27.2 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.403 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.1 m -106.11 141.5 37.38 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.016 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.478 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -144.16 143.53 22.8 Favored Pre-proline 0 C--N 1.321 -0.635 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.866 174.311 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 2.1 Cg_endo -83.43 63.14 7.48 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 123.087 2.525 . . . . 0.0 111.589 178.109 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -167.21 121.13 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.387 -0.824 . . . . 0.0 108.965 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 51.7 m80 66.25 141.87 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 O-C-N 124.055 0.847 . . . . 0.0 110.234 -168.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.566 ' O ' ' HB2' ' A' ' 111' ' ' SER . 37.5 Cg_exo -58.94 -56.07 1.62 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.63 2.22 . . . . 0.0 112.994 -178.054 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.475 ' HB1' ' OG1' ' A' ' 121' ' ' THR . . . -165.32 83.17 0.35 Allowed 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.414 -0.514 . . . . 0.0 112.242 -176.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.401 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 6.6 ppt_? -167.77 148.12 4.6 Favored Pre-proline 0 N--CA 1.45 -0.449 0 CA-C-N 115.419 -0.81 . . . . 0.0 108.972 170.056 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 91' ' ' ARG . 24.9 Cg_exo -63.67 149.84 89.89 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.827 2.351 . . . . 0.0 112.586 -178.205 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.2 t -97.25 -170.49 2.03 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.07 -49.46 36.28 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.693 -175.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.58 ' O ' ' HG2' ' A' ' 99' ' ' GLU . 15.7 m -67.05 -49.21 65.92 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -174.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -67.58 -30.0 69.5 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.849 -177.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.576 ' HG ' ' CE1' ' A' ' 132' ' ' PHE . 7.6 tt -64.12 -43.0 96.62 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.484 0.659 . . . . 0.0 109.25 171.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -68.6 -32.77 72.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.755 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' A' ' 95' ' ' THR . 7.9 mm-40 -82.5 1.02 39.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.304 -178.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.72 94.28 3.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.16 0.505 . . . . 0.0 110.644 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.615 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 11.1 m -83.25 -18.12 40.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.805 -176.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.412 ' HB3' ' CD1' ' A' ' 105' ' ' PHE . 81.7 m-85 -110.12 88.48 7.11 Favored Pre-proline 0 C--N 1.327 -0.373 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -173.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.615 ' HD3' ' O ' ' A' ' 101' ' ' THR . 13.2 Cg_exo -70.62 -0.69 8.02 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.958 2.439 . . . . 0.0 112.714 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -105.53 5.97 41.3 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.246 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.471 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 2.6 m-85 -104.93 153.24 21.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.808 0.337 . . . . 0.0 110.444 -179.16 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.427 HG21 ' HB2' ' A' ' 1' ' ' MET . 41.4 m -92.71 123.0 35.67 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.27 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.455 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 65.4 m-85 -101.23 117.12 34.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.465 -177.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.585 ' HB ' ' HB3' ' A' ' 82' ' ' TYR . 64.2 t -96.32 126.25 49.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-O 121.292 0.568 . . . . 0.0 110.345 178.369 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.3 mm -109.67 123.76 65.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 176.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.475 ' CG2' ' HG ' ' A' ' 120' ' ' LEU . 2.4 p -128.9 137.66 56.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 121.284 0.564 . . . . 0.0 110.538 -174.408 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.566 ' HB2' ' O ' ' A' ' 89' ' ' PRO . 34.6 t -80.53 106.8 12.81 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.595 -178.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 116' ' ' ALA . 69.1 t -125.8 114.43 39.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 172.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 49.2 ttp85 -107.01 92.9 4.27 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.165 -176.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 33.7 t70 60.43 29.92 19.38 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.085 176.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 119.1 -19.11 10.19 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.911 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . . . -91.1 110.77 44.58 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.668 0.234 . . . . 0.0 111.314 -179.087 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.426 ' HB2' ' HB2' ' A' ' 12' ' ' ARG . 1.7 Cg_endo -83.89 115.24 2.05 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 123.348 2.699 . . . . 0.0 112.003 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.538 ' HB3' ' HB3' ' A' ' 111' ' ' SER . 43.2 tt0 -95.71 -74.26 0.56 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.721 -174.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.429 ' H ' ' HB3' ' A' ' 111' ' ' SER . . . -137.8 155.37 49.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.614 0.245 . . . . 0.0 111.273 -175.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.475 ' HG ' ' CG2' ' A' ' 110' ' ' VAL . 5.0 mp -119.25 144.17 46.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.719 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.475 ' OG1' ' HB1' ' A' ' 90' ' ' ALA . 28.7 p -138.41 143.31 39.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.702 -0.227 . . . . 0.0 110.512 176.392 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.75 134.35 52.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.862 0.363 . . . . 0.0 110.387 178.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -129.01 143.5 50.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.946 -175.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -108.92 129.06 55.42 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.7 176.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.524 HD23 ' HA ' ' A' ' 103' ' ' PRO . 55.2 tp -81.12 134.53 35.66 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.7 142.27 94.64 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.325 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -59.88 -26.37 82.1 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.909 2.406 . . . . 0.0 112.601 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -86.51 -11.13 52.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.306 176.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 129' ' ' ARG . 12.4 ttp180 55.59 71.76 0.53 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.87 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 70.6 m -118.14 -32.81 4.6 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.114 172.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.544 ' HA ' HD11 ' A' ' 97' ' ' LEU . 11.4 pt-20 -162.59 -178.89 6.51 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.567 -179.267 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.576 ' CE1' ' HG ' ' A' ' 97' ' ' LEU . 46.5 m-85 -106.39 154.04 21.38 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.078 178.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -124.27 145.88 49.11 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 175.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 10.8 tpt85 -82.23 133.62 35.26 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 121.257 0.551 . . . . 0.0 110.88 -173.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -117.51 149.55 40.42 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 175.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -86.4 154.53 21.11 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -176.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 47.7 mm -82.92 112.76 21.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 16.5 m -116.99 134.36 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.798 0 CA-C-O 121.65 0.738 . . . . 0.0 111.333 -176.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 67.8 mtm180 -83.55 145.63 48.31 Favored Pre-proline 0 C--N 1.313 -1.0 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.467 174.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -58.27 144.25 96.04 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.062 1.841 . . . . 0.0 111.102 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.144 179.797 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ttt . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.878 0.371 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -108.18 126.04 52.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.232 174.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.481 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 14.0 t -157.26 169.52 24.58 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.477 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 78.3 p -104.0 152.52 39.09 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.012 -176.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.36 -28.54 86.99 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.78 2.32 . . . . 0.0 111.808 176.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.4 -49.42 76.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.755 177.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.541 HG23 HD11 ' A' ' 42' ' ' LEU . 35.9 mm -63.66 -42.91 97.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.336 178.066 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.1 mt -58.28 -44.97 88.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.325 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.675 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 8.7 t70 -66.5 -38.86 88.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.13 0.49 . . . . 0.0 110.226 -178.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -60.4 -37.77 81.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.277 175.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 7' ' ' ILE . 83.0 mt -63.85 -49.08 83.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.304 178.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.675 ' HG2' ' O ' ' A' ' 9' ' ' ASP . 4.9 ptm180 -62.33 -32.68 73.48 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.548 0.213 . . . . 0.0 111.116 -177.012 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 9' ' ' ASP . 97.6 t -67.83 -34.16 65.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.684 0.278 . . . . 0.0 110.686 178.19 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -63.36 -28.7 70.17 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.005 -177.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.549 ' HA3' HG21 ' A' ' 112' ' ' VAL . . . -65.71 -45.92 86.35 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.177 178.284 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.97 -30.62 62.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.296 0.57 . . . . 0.0 110.607 178.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -58.59 -38.58 78.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.52 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.44 20.08 11.93 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.707 -175.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.504 ' CE2' ' HA ' ' A' ' 114' ' ' ASP . 16.6 t80 -41.84 129.79 2.49 Favored Pre-proline 0 N--CA 1.476 0.847 0 C-N-CA 122.922 0.489 . . . . 0.0 112.003 -177.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 19' ' ' TYR . 72.1 Cg_endo -79.96 -21.24 18.05 Favored 'Cis proline' 0 C--N 1.347 0.478 0 C-N-CA 123.026 -1.656 . . . . 0.0 112.093 -0.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 178.31 134.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.37 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -118.59 2.23 11.73 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 172.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.548 ' HA3' ' O ' ' A' ' 45' ' ' ALA . . . 147.48 153.11 5.83 Favored Glycine 0 N--CA 1.437 -1.243 0 CA-C-N 113.924 -1.489 . . . . 0.0 110.583 -175.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.527 ' HB3' ' O ' ' A' ' 82' ' ' TYR . 82.1 m -93.23 -164.39 1.17 Allowed 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.507 ' HA3' ' CZ ' ' A' ' 82' ' ' TYR . . . -137.7 155.05 22.91 Favored Glycine 0 N--CA 1.441 -1.03 0 C-N-CA 120.039 -1.077 . . . . 0.0 111.969 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -107.81 148.23 29.81 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.975 -0.379 . . . . 0.0 109.975 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.3 mt -93.99 115.17 27.49 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.479 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.614 HD22 ' HB2' ' A' ' 71' ' ' ALA . 59.4 mt -103.76 132.62 49.85 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -178.196 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 178.24 -151.1 10.27 Favored Glycine 0 N--CA 1.441 -1.021 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.485 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 0.9 OUTLIER -136.8 158.42 44.48 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 120.879 0.371 . . . . 0.0 111.08 179.588 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.9 t -89.6 124.43 42.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 51.1 p -70.34 164.95 23.41 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.981 -176.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.94 -21.19 66.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.735 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -71.38 -34.27 70.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.332 176.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.22 -3.8 20.36 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.615 -176.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -88.19 153.53 21.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.888 0.375 . . . . 0.0 110.444 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.441 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 78.7 m-20 -94.33 128.71 40.99 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.675 -175.64 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 30' ' ' THR . 33.4 ptt180 -114.8 143.24 45.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.288 0.565 . . . . 0.0 110.032 176.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.1 t -110.23 121.64 63.42 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.347 -174.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -115.05 -19.2 10.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.603 -178.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.504 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -148.49 166.73 27.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.932 0.396 . . . . 0.0 111.387 -177.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.541 HD11 HG23 ' A' ' 7' ' ' ILE . 97.6 mt -131.92 143.58 50.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.254 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.513 ' HB2' HD11 ' A' ' 28' ' ' LEU . 21.1 t60 -130.86 135.33 47.61 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 174.107 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 44' ' ' ARG . 21.3 ttt180 -86.84 135.91 33.16 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.594 -178.178 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.548 ' O ' ' HA3' ' A' ' 23' ' ' GLY . . . . . . . . 0 C--N 1.321 -0.635 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 173.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 C--O 1.236 0.357 0 CA-C-O 121.104 0.478 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -57.26 -40.76 78.34 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.937 177.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.457 ' HD2' ' HA ' ' A' ' 65' ' ' ARG . 18.9 mmm180 -60.57 -36.96 79.76 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 120.649 0.262 . . . . 0.0 111.275 -179.269 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.42 -38.31 71.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.87 0.367 . . . . 0.0 110.587 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.94 -42.47 89.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.384 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.75 -41.68 87.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.031 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.629 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -60.64 -52.08 66.65 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.395 176.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.72 -33.56 75.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.765 0.317 . . . . 0.0 111.195 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.614 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -63.98 -52.35 60.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.635 178.068 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -66.21 -31.92 73.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.803 -0.181 . . . . 0.0 110.771 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.629 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 37.9 mt-10 -58.08 -40.23 80.54 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.203 0.525 . . . . 0.0 110.648 174.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -88.0 -2.14 58.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.702 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.78 18.71 62.98 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.658 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.1 mt -116.39 -173.81 2.44 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 -177.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -148.55 173.9 12.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.702 172.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.2 t -84.04 111.36 19.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.951 0.405 . . . . 0.0 110.29 -176.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.441 ' HB ' ' HB3' ' A' ' 37' ' ' ASN . 27.6 m -100.39 -1.76 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.5 -177.167 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.43 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . 173.86 -176.15 46.38 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.019 -1.086 . . . . 0.0 113.015 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 107' ' ' TYR . 4.0 t -140.73 158.29 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.556 ' HB3' ' HB ' ' A' ' 108' ' ' VAL . 42.4 p90 -132.65 137.94 47.16 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.084 175.113 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.676 ' HE1' ' OE1' ' A' ' 99' ' ' GLU . 87.8 m-70 -112.92 149.66 32.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.323 -178.105 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.3 m -105.7 127.14 52.9 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 176.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -124.66 86.16 55.96 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -175.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.448 ' HA ' ' O ' ' A' ' 112' ' ' VAL . 5.8 Cg_exo -79.51 63.25 8.71 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.431 2.088 . . . . 0.0 109.579 167.353 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -156.06 -72.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.362 -169.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.458 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 57.4 m170 -115.03 144.19 31.6 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 175.277 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 88' ' ' HIS . 15.0 Cg_exo -68.88 95.96 0.5 Allowed 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.89 2.393 . . . . 0.0 113.86 -173.037 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.469 ' HB2' ' HB2' ' A' ' 111' ' ' SER . . . 61.79 25.05 15.02 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.473 -0.785 . . . . 0.0 113.042 168.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -131.07 152.58 80.9 Favored Pre-proline 0 C--N 1.32 -0.69 0 O-C-N 122.059 -0.401 . . . . 0.0 110.334 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -73.85 -175.28 2.04 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.886 2.391 . . . . 0.0 113.841 -174.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.0 m -150.28 -179.45 7.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.061 -0.972 . . . . 0.0 108.837 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -59.89 -48.62 80.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.588 0.232 . . . . 0.0 111.156 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.6 m -61.77 -35.23 77.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.049 0.452 . . . . 0.0 111.171 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -66.6 -41.37 88.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.546 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.2 -39.27 86.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.834 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 44.8 mt-10 -58.49 -27.24 64.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.19 178.422 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.676 ' OE1' ' HE1' ' A' ' 83' ' ' HIS . 67.4 mt-10 -93.27 -13.51 28.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.025 0.441 . . . . 0.0 110.608 178.316 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.81 57.88 4.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.137 -178.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.58 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 3.1 m -101.42 12.22 37.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.486 0.66 . . . . 0.0 109.979 177.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -109.67 88.05 6.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.241 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.58 ' HD3' ' O ' ' A' ' 101' ' ' THR . 17.3 Cg_exo -66.15 142.17 66.33 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.579 2.186 . . . . 0.0 111.762 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.2 -21.81 43.87 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.978 -0.63 . . . . 0.0 111.575 -178.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.43 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 17.5 m-85 -83.93 141.65 31.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.03 0.443 . . . . 0.0 110.529 179.074 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.0 m -95.84 126.78 41.34 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.884 177.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.424 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 90.0 m-85 -103.32 119.46 38.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.848 0.356 . . . . 0.0 110.512 -175.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.556 ' HB ' ' HB3' ' A' ' 82' ' ' TYR . 61.9 t -102.43 126.02 56.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-O 121.149 0.499 . . . . 0.0 110.372 178.455 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 75.8 mt -114.41 121.43 66.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.886 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.446 HG21 ' HA ' ' A' ' 12' ' ' ARG . 7.2 p -104.0 131.51 52.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.403 0.621 . . . . 0.0 110.792 -179.39 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.469 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 19.4 t -83.64 107.07 15.85 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.351 178.498 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.549 HG21 ' HA3' ' A' ' 15' ' ' GLY . 61.4 t -118.45 117.3 54.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -113.04 92.04 3.87 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.866 0.365 . . . . 0.0 110.457 -177.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.504 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 37.5 t70 49.48 65.64 1.34 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.812 176.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.453 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 87.93 -16.34 51.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.886 176.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -103.9 105.23 47.3 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 122.43 -0.453 . . . . 0.0 111.391 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.502 ' CB ' ' HB2' ' A' ' 12' ' ' ARG . 3.7 Cg_exo -77.01 104.87 1.98 Allowed 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.785 2.324 . . . . 0.0 111.153 175.575 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -70.49 -72.49 0.2 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.261 -175.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -148.81 158.57 44.25 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.984 -175.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.576 HD11 ' HB3' ' A' ' 12' ' ' ARG . 5.6 mp -109.34 133.09 53.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.571 176.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.411 ' OG1' ' HB1' ' A' ' 90' ' ' ALA . 17.5 p -127.77 140.79 51.84 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.901 178.635 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.55 144.0 38.44 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.129 0.49 . . . . 0.0 110.035 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -132.11 141.51 49.18 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.011 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.8 139.57 39.39 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.708 177.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 103' ' ' PRO . 60.9 tp -80.77 131.25 35.4 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.037 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.92 138.18 93.85 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 176.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.04 -33.76 64.5 Favored 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 123.128 2.552 . . . . 0.0 113.126 -177.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.41 ' C ' ' HD2' ' A' ' 129' ' ' ARG . 8.1 t70 -85.79 6.31 28.57 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.996 0.427 . . . . 0.0 110.796 -178.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.41 ' HD2' ' C ' ' A' ' 128' ' ' ASP . 1.0 OUTLIER 61.46 26.97 16.63 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.604 -179.525 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 34.7 t -81.96 -47.75 12.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.677 -174.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -152.22 -175.48 5.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.128 0.49 . . . . 0.0 111.754 -172.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -105.5 147.45 28.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.726 174.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -124.03 147.96 47.42 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.919 0.39 . . . . 0.0 110.065 175.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 134' ' ' ARG . 9.3 tpt180 -70.3 135.09 48.59 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.804 -178.08 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -120.22 153.42 36.32 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.542 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -106.27 128.56 54.06 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.409 -178.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.402 HD12 ' N ' ' A' ' 137' ' ' ILE . 4.0 mp -83.68 114.95 25.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.101 0.477 . . . . 0.0 110.282 -175.514 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -109.54 154.95 10.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.381 -178.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -90.52 159.18 41.83 Favored Pre-proline 0 C--N 1.312 -1.038 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.736 175.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.481 ' HD3' ' O ' ' A' ' 3' ' ' THR . 39.1 Cg_exo -57.74 130.82 40.55 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 122.114 1.876 . . . . 0.0 110.52 171.109 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.327 -0.411 0 O-C-N 123.738 0.648 . . . . 0.0 110.631 -178.509 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ttt . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.826 0.346 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.56 ' HG2' ' HB3' ' A' ' 140' ' ' PRO . 13.7 mptt -112.0 137.49 49.95 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 176.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.9 t -158.45 173.62 16.35 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.119 -176.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.3 p -107.48 151.85 41.12 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.294 -178.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.596 ' HA ' HD12 ' A' ' 8' ' ' LEU . 16.9 Cg_endo -57.88 -33.15 96.66 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.482 2.788 . . . . 0.0 113.073 -178.168 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -59.63 -39.98 86.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.267 179.06 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.48 ' O ' HG13 ' A' ' 11' ' ' ILE . 51.0 mm -68.45 -41.54 83.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 176.484 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.636 HD11 HG21 ' A' ' 137' ' ' ILE . 79.0 mt -56.5 -46.73 80.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.078 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.523 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 11.0 t70 -66.41 -37.14 84.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.405 -177.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 48.9 mt-30 -61.27 -36.2 79.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.073 175.537 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 7' ' ' ILE . 75.6 mt -65.93 -49.84 74.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.068 178.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.523 ' HG2' ' HA ' ' A' ' 9' ' ' ASP . 2.0 ptm180 -64.52 -38.3 90.52 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.082 -178.176 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.1 t -69.05 -45.97 79.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.661 0.267 . . . . 0.0 110.51 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -65.25 -32.75 74.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.828 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.79 -46.61 91.38 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.991 177.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.07 -27.52 63.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.849 0.357 . . . . 0.0 111.034 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -73.8 -39.22 64.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.306 -177.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.4 -35.84 53.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.969 -176.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.446 ' HA ' ' N ' ' A' ' 21' ' ' GLU . 3.8 m-85 -65.71 162.13 46.68 Favored Pre-proline 0 C--N 1.33 -0.269 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -174.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.401 ' C ' ' HA ' ' A' ' 19' ' ' TYR . 43.9 Cg_endo -68.87 -8.98 9.13 Favored 'Cis proline' 0 C--N 1.354 0.823 0 C-N-CA 124.1 -1.208 . . . . 0.0 114.632 5.254 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.446 ' N ' ' HA ' ' A' ' 19' ' ' TYR . 41.9 mt-10 -75.62 157.58 33.58 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 176.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -92.35 133.59 35.72 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.073 0.463 . . . . 0.0 110.982 -177.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.54 -63.29 1.23 Allowed Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 176.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 44' ' ' ARG . 63.2 m 62.68 176.38 0.14 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.179 0.514 . . . . 0.0 112.032 175.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 43' ' ' HIS . . . 145.12 -164.82 27.88 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.262 177.373 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.431 ' HA ' ' HA ' ' A' ' 81' ' ' VAL . 96.0 m-85 -108.73 160.49 15.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.058 0.456 . . . . 0.0 111.158 -177.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.6 mt -104.03 127.42 51.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.599 176.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.584 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 72.3 mt -108.0 145.27 34.14 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.896 0.379 . . . . 0.0 110.521 -176.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.453 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . 176.93 -153.35 13.66 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.699 179.017 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.2 p -121.28 152.31 39.05 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.716 0.293 . . . . 0.0 110.727 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.0 t -92.78 134.27 31.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.031 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.455 ' O ' ' HB3' ' A' ' 33' ' ' ASP . 8.1 t -115.82 140.08 49.57 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 178.18 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.455 ' HB3' ' O ' ' A' ' 32' ' ' THR . 28.7 t70 72.79 -12.34 0.77 Allowed 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.508 0.505 . . . . 0.0 111.159 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.427 ' H ' ' C ' ' A' ' 32' ' ' THR . 20.2 t70 75.48 12.73 3.13 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.9 -172.368 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -125.71 -44.75 0.25 Allowed Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.145 -0.934 . . . . 0.0 112.772 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -102.24 172.21 7.03 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -177.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.782 ' HB2' ' HB ' ' A' ' 79' ' ' VAL . 8.3 p30 -128.98 142.24 50.99 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.16 0.505 . . . . 0.0 111.541 -174.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.475 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 37.9 ttt180 -115.87 105.89 13.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.624 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 49.0 t -84.49 122.62 38.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.681 -176.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -134.62 2.95 3.24 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -176.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.584 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -154.07 150.14 27.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.775 0.322 . . . . 0.0 111.307 179.265 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.3 mt -109.19 157.02 19.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.178 0.513 . . . . 0.0 111.404 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.407 ' O ' ' HA3' ' A' ' 25' ' ' GLY . 73.6 t60 -141.21 135.69 30.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.665 174.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.453 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 15.9 ptt180 -107.23 140.35 40.25 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 178.143 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.425 ' HA ' ' OD1' ' A' ' 63' ' ' ASP . . . . . . . . 0 C--N 1.331 -0.207 0 O-C-N 123.75 0.656 . . . . 0.0 111.78 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.425 ' OD1' ' HA ' ' A' ' 45' ' ' ALA . 36.3 t70 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.584 0.23 . . . . 0.0 111.293 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -60.1 -45.97 91.17 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 120.882 0.372 . . . . 0.0 110.062 178.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.416 ' HD3' HH11 ' A' ' 65' ' ' ARG . 37.1 mtt180 -61.11 -39.32 89.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.898 177.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.68 -37.55 79.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.045 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.08 -42.74 84.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.314 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.463 ' O ' ' HG2' ' A' ' 72' ' ' GLN . 33.6 t70 -69.36 -40.15 77.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.648 -178.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.509 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -60.4 -53.68 54.72 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.949 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.13 -32.47 74.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.97 0.414 . . . . 0.0 110.401 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.496 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -62.86 -52.26 63.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.81 177.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 10.2 pt20 -66.89 -32.35 73.56 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.881 -178.521 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 73.9 mt-10 -59.97 -39.97 87.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.257 0.551 . . . . 0.0 110.941 173.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -87.61 -0.24 56.58 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.894 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.89 29.81 64.5 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.251 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.5 mt -126.32 -177.25 3.91 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -178.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -142.23 175.88 9.41 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 173.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.3 t -81.3 111.84 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.131 -178.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.782 ' HB ' ' HB2' ' A' ' 37' ' ' ASN . 29.3 m -106.1 -13.01 9.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.67 -176.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -165.12 -178.74 38.59 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.185 -1.007 . . . . 0.0 112.719 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.431 ' HA ' ' HA ' ' A' ' 26' ' ' PHE . 2.9 t -139.67 157.04 26.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -139.4 136.2 34.45 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.468 0.651 . . . . 0.0 110.849 174.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -144.8 131.78 20.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.007 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.6 p -105.49 154.38 20.44 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.108 0.48 . . . . 0.0 111.271 -174.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 49.3 m80 -114.8 143.34 29.87 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 175.232 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 8.3 Cg_exo -72.91 84.27 1.3 Allowed 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.603 2.202 . . . . 0.0 111.581 177.267 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.482 ' CG ' ' HE ' ' A' ' 113' ' ' ARG . 48.3 t0 59.89 90.4 0.06 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.705 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.547 ' HB3' ' HD2' ' A' ' 89' ' ' PRO . 4.9 m170 -155.93 166.54 16.15 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.351 -0.841 . . . . 0.0 108.928 178.101 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.547 ' HD2' ' HB3' ' A' ' 88' ' ' HIS . 24.2 Cg_endo -61.31 5.35 0.18 Allowed 'Trans proline' 0 N--CA 1.486 1.048 0 C-N-CA 123.278 2.652 . . . . 0.0 115.257 -172.432 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 70.44 -5.67 1.33 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.736 0.814 . . . . 0.0 113.09 173.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.03 145.65 30.2 Favored Pre-proline 0 C--N 1.312 -1.032 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 174.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_exo -61.18 135.61 59.49 Favored 'Trans proline' 0 C--O 1.236 0.4 0 C-N-CA 122.787 2.324 . . . . 0.0 112.725 -176.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.2 m -86.17 179.44 6.94 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 173.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.684 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -58.38 -47.95 82.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.664 0.268 . . . . 0.0 110.838 179.255 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.493 ' HA ' ' OE1' ' A' ' 98' ' ' GLU . 87.4 m -65.85 -33.05 74.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.808 -178.152 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -59.82 -41.47 91.38 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.14 0.495 . . . . 0.0 110.051 176.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.9 tt -69.3 -39.04 78.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.963 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.684 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 55.8 mt-10 -59.94 -40.05 87.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.933 -177.152 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 95' ' ' THR . 14.9 pt-20 -91.63 -10.48 40.24 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.368 -179.243 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.92 91.37 6.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.095 0.474 . . . . 0.0 110.11 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.9 m -119.99 26.8 9.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.398 0.618 . . . . 0.0 110.307 -177.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -113.19 86.92 10.09 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.674 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -71.8 143.05 40.57 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.562 2.175 . . . . 0.0 112.236 -178.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.76 -19.91 52.47 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.996 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -91.88 143.72 26.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.873 0.368 . . . . 0.0 110.478 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 36.6 m -92.73 126.58 37.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.011 176.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -96.66 114.82 26.5 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.616 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 67.8 t -97.76 116.61 40.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 121.232 0.539 . . . . 0.0 109.987 174.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.1 mt -110.61 125.27 67.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.778 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.68 ' HB ' HD23 ' A' ' 120' ' ' LEU . 5.1 p -117.39 139.93 42.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.322 178.537 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.0 t -95.66 106.75 18.88 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.383 176.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.48 ' HA ' ' HA ' ' A' ' 117' ' ' PRO . 22.7 t -108.41 116.59 52.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.09 0.471 . . . . 0.0 109.813 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.482 ' HE ' ' CG ' ' A' ' 87' ' ' ASP . 43.0 ttm180 -94.11 88.43 5.64 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.459 -176.494 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 37.9 t70 64.5 11.85 6.93 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.937 174.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.473 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 137.27 -22.65 3.21 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.911 -178.355 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -99.85 105.87 37.34 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.648 0.261 . . . . 0.0 111.339 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.48 ' HA ' ' HA ' ' A' ' 112' ' ' VAL . 5.7 Cg_exo -74.46 113.97 3.92 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.933 2.422 . . . . 0.0 111.323 176.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -88.9 -68.16 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.172 -177.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -110.87 129.7 55.79 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.979 -174.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.68 HD23 ' HB ' ' A' ' 110' ' ' VAL . 15.5 mt -104.94 121.2 43.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.424 171.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 20.0 p -132.27 135.15 46.04 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.687 0.279 . . . . 0.0 110.643 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.92 142.19 41.6 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -134.64 137.69 43.86 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.921 -174.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.68 126.85 52.16 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.941 176.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 64.7 tp -84.68 119.36 25.16 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.75 143.79 98.78 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.814 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo -58.21 -24.74 68.64 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.491 2.127 . . . . 0.0 111.23 176.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -68.73 -22.91 64.3 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.374 176.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 52.12 35.56 16.8 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 114.842 -1.072 . . . . 0.0 112.798 176.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 64.3 m -97.17 -12.35 23.16 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 121.791 -0.568 . . . . 0.0 110.527 173.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -171.75 172.9 4.75 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.452 0.644 . . . . 0.0 110.957 -177.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -106.3 156.48 18.45 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.877 -1.056 . . . . 0.0 108.317 173.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -122.68 140.45 52.84 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 120.944 0.402 . . . . 0.0 109.975 178.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -62.59 136.6 57.97 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.301 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -131.72 156.95 45.02 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.79 -1.096 . . . . 0.0 108.18 177.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -126.26 163.3 23.5 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.084 0.469 . . . . 0.0 110.194 178.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.636 HG21 HD11 ' A' ' 8' ' ' LEU . 50.4 mm -84.03 114.73 25.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.326 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 2.4 m -121.12 134.26 65.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -175.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 139' ' ' ARG . 34.3 mtm-85 -93.1 104.79 12.87 Favored Pre-proline 0 C--N 1.319 -0.742 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 170.27 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.56 ' HB3' ' HG2' ' A' ' 2' ' ' LYS . 61.6 Cg_endo -71.23 154.88 61.53 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 123.071 2.514 . . . . 0.0 114.607 -165.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.326 -0.852 . . . . 0.0 108.756 170.911 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.49 ' HB2' HG21 ' A' ' 106' ' ' THR . 24.9 ttt . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 120.663 0.268 . . . . 0.0 111.296 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 138' ' ' VAL . 13.8 mptt -110.19 124.42 51.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.718 176.168 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.465 ' O ' ' HA ' ' A' ' 139' ' ' ARG . 10.1 t -159.52 173.75 15.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.476 175.664 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.6 p -96.06 153.88 39.03 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-O 121.049 0.452 . . . . 0.0 111.287 -177.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.417 ' HA ' HD12 ' A' ' 8' ' ' LEU . 14.1 Cg_endo -58.36 -26.59 78.05 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.021 2.481 . . . . 0.0 111.971 175.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -59.7 -48.93 79.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.272 176.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.617 ' O ' HG13 ' A' ' 11' ' ' ILE . 39.8 mm -61.88 -42.92 96.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.179 176.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.619 HD21 HG21 ' A' ' 137' ' ' ILE . 91.7 mt -56.32 -40.91 75.15 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.531 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.546 ' HA ' ' NH1' ' A' ' 12' ' ' ARG . 13.9 t70 -66.7 -44.04 82.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.06 0.457 . . . . 0.0 109.825 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -63.9 -30.9 71.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.58 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.617 HG13 ' O ' ' A' ' 7' ' ' ILE . 73.2 mt -61.63 -40.85 88.12 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-O 120.81 0.338 . . . . 0.0 110.323 176.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.546 ' NH1' ' HA ' ' A' ' 9' ' ' ASP . 55.0 mtm-85 -65.64 -39.76 91.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 0.0 110.149 177.363 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 9' ' ' ASP . 57.6 t -56.35 -38.63 56.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.41 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -31.9 63.47 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 177.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.4 -50.19 69.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.892 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.27 -42.73 54.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.851 0.358 . . . . 0.0 111.319 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.68 -38.8 92.22 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.869 -173.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.634 ' HB1' ' HG2' ' A' ' 22' ' ' GLU . . . -82.7 -33.01 27.74 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.491 -174.51 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.406 ' HE2' ' HA ' ' A' ' 114' ' ' ASP . 0.8 OUTLIER -52.58 139.12 40.04 Favored Pre-proline 0 C--N 1.332 -0.178 0 O-C-N 123.317 0.385 . . . . 0.0 110.837 -175.642 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -90.59 -2.88 56.88 Favored 'Cis proline' 0 CA--C 1.535 0.544 0 C-N-CA 123.729 -1.363 . . . . 0.0 114.292 3.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -80.63 176.55 9.7 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -173.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.634 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 0.3 OUTLIER 47.33 -154.34 0.07 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.424 1.089 . . . . 0.0 111.54 -175.128 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.81 -38.71 1.26 Allowed Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 -176.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.0 p -110.68 166.44 11.01 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 174.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 172.11 178.45 42.35 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.344 -0.931 . . . . 0.0 112.016 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -109.8 149.85 29.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.048 0.451 . . . . 0.0 111.178 -175.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 73.6 mt -98.98 124.99 44.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.523 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.53 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 85.6 mt -104.69 133.09 50.12 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.097 0.475 . . . . 0.0 110.563 -177.082 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -179.84 -152.43 10.8 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.086 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.9 p -136.14 160.37 38.88 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.7 t -88.42 106.33 16.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 173.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.4 t -77.29 121.59 23.92 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.158 -171.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.495 ' O ' ' HB3' ' A' ' 34' ' ' ASP . 6.1 t70 63.89 -0.15 0.84 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 114.214 -1.357 . . . . 0.0 111.93 177.599 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.495 ' HB3' ' O ' ' A' ' 33' ' ' ASP . 31.9 t70 73.6 19.58 3.27 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 122.15 0.976 . . . . 0.0 109.334 -175.149 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -105.11 -24.82 7.02 Favored Glycine 0 CA--C 1.521 0.414 0 CA-C-N 115.108 -0.951 . . . . 0.0 113.245 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -170.13 170.98 7.13 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -88.75 130.31 35.37 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.202 0.525 . . . . 0.0 111.053 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -107.67 106.38 16.68 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.719 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.9 t -94.5 116.66 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.141 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -117.35 -20.16 9.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.718 -176.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.53 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -132.65 142.21 48.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.967 0.413 . . . . 0.0 111.151 -178.126 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.4 mt -107.65 134.74 50.2 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.588 178.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -119.02 120.64 37.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.804 0.335 . . . . 0.0 110.274 176.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.579 ' HA ' ' OH ' ' A' ' 82' ' ' TYR . 76.5 mtt180 -82.71 134.99 35.13 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.723 -0.844 . . . . 0.0 108.723 177.335 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.088 0.47 . . . . 0.0 110.59 179.171 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.0 t70 . . . . . 0 C--O 1.235 0.328 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -54.9 -50.8 67.87 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.413 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 65' ' ' ARG . 35.4 mtt180 -60.52 -36.21 77.83 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -176.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.48 -41.38 80.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.961 0.41 . . . . 0.0 110.457 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.16 -40.56 86.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.923 174.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.05 -45.09 96.17 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.267 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.11 -51.24 67.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.018 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.12 -33.27 75.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.338 -178.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.497 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -62.0 -51.32 68.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.307 176.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -59.94 -44.23 94.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.771 179.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.42 -43.43 83.8 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 177.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -83.68 -4.59 58.73 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.128 -178.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.21 32.76 59.9 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.882 -177.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.2 mt -125.94 -179.75 4.84 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -143.87 177.49 8.5 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 174.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.8 t -81.18 110.43 16.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.892 0.377 . . . . 0.0 110.364 -176.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.5 m -111.64 -1.46 9.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.708 -176.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.498 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -174.76 -179.96 45.68 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 119.755 -1.212 . . . . 0.0 113.334 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 107' ' ' TYR . 3.8 t -138.67 153.86 26.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.579 ' OH ' ' HA ' ' A' ' 44' ' ' ARG . 11.7 p90 -127.57 152.67 47.33 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.787 177.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -134.31 126.51 29.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.545 176.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.1 m -105.75 126.1 51.77 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 66.3 m170 -100.65 142.69 25.11 Favored Pre-proline 0 C--N 1.322 -0.609 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.305 -178.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -82.1 98.31 0.94 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 122.727 2.284 . . . . 0.0 110.256 171.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 44.8 t0 70.29 -170.69 0.17 Allowed 'General case' 0 C--O 1.237 0.427 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -176.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 32.7 m170 67.93 160.86 0.14 Allowed Pre-proline 0 N--CA 1.472 0.657 0 C-N-CA 123.447 0.699 . . . . 0.0 111.829 178.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -57.67 154.88 34.5 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 123.186 2.591 . . . . 0.0 113.329 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -83.25 37.33 0.55 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.752 -176.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.501 ' NH1' ' HA ' ' A' ' 93' ' ' SER . 7.7 ppt_? -113.79 151.98 45.17 Favored Pre-proline 0 C--N 1.322 -0.587 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.269 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -61.79 132.36 39.59 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.802 2.335 . . . . 0.0 112.692 -177.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.501 ' HA ' ' NH1' ' A' ' 91' ' ' ARG . 12.6 t -95.3 -170.77 2.24 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 176.492 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.1 -47.45 74.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.922 0.392 . . . . 0.0 111.175 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.7 m -67.44 -39.87 85.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.528 -177.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -61.43 -42.27 98.49 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.054 0.454 . . . . 0.0 110.062 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.65 -44.09 74.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.973 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -68.64 -33.13 73.49 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.502 -176.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -94.9 8.1 43.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.022 0.439 . . . . 0.0 111.302 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.03 61.55 6.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.358 0.599 . . . . 0.0 110.266 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.672 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 6.1 t -95.85 8.26 44.07 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.817 -175.05 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.481 ' HB3' ' CD1' ' A' ' 105' ' ' PHE . 76.4 m-85 -104.64 87.13 1.64 Allowed Pre-proline 0 C--N 1.317 -0.839 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.33 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.672 ' HD3' ' O ' ' A' ' 101' ' ' THR . 4.0 Cg_exo -76.08 123.86 7.56 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.64 2.227 . . . . 0.0 111.917 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 109.4 -7.82 32.44 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.809 -179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.498 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 33.8 m-85 -93.72 151.19 19.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.704 0.288 . . . . 0.0 110.497 178.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.49 HG21 ' HB2' ' A' ' 1' ' ' MET . 25.2 m -92.38 126.78 37.61 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.3 178.321 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.432 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 88.9 m-85 -102.99 115.35 30.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.054 -177.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 99.8 t -101.7 125.9 55.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 174.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 68.6 mt -120.11 129.73 75.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.203 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.768 ' HB ' ' HB3' ' A' ' 120' ' ' LEU . 3.3 p -130.67 132.03 64.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-O 121.301 0.572 . . . . 0.0 110.705 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.6 m -84.24 111.66 19.58 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.812 177.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.3 t -111.61 115.97 51.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 176.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.35 86.21 2.78 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -176.331 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.406 ' HA ' ' HE2' ' A' ' 19' ' ' TYR . 38.6 t70 54.32 62.88 2.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.673 -179.062 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.01 -35.64 4.01 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.786 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.424 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . . . -86.25 111.29 37.71 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.75 0.31 . . . . 0.0 111.724 -176.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 116' ' ' ALA . 1.3 Cg_endo -84.32 110.94 1.53 Allowed 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 123.267 2.644 . . . . 0.0 111.511 179.076 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -77.23 -76.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -176.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -139.12 141.54 38.09 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.029 -175.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.768 ' HB3' ' HB ' ' A' ' 110' ' ' VAL . 2.4 pp -119.42 152.71 36.39 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.912 172.399 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.486 HG21 ' NE ' ' A' ' 134' ' ' ARG . 5.1 m -149.44 161.88 41.23 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 176.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -108.95 138.67 44.93 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.405 ' CZ3' ' HB2' ' A' ' 134' ' ' ARG . 78.4 m95 -123.18 140.13 53.34 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.845 -175.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.45 128.06 52.27 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.452 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.72 HD21 ' HG2' ' A' ' 129' ' ' ARG . 57.5 tp -80.97 135.79 35.92 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.128 -178.066 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.436 ' HB3' ' H ' ' A' ' 131' ' ' GLU . . . -62.09 149.66 85.89 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 174.595 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -37.27 -57.81 0.65 Allowed 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 123.797 2.998 . . . . 0.0 114.432 -175.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -102.4 31.08 4.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.083 0.468 . . . . 0.0 110.895 -176.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.72 ' HG2' HD21 ' A' ' 125' ' ' LEU . 55.5 mtm180 66.35 18.32 10.86 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.406 176.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 11.7 m -65.77 -29.3 69.78 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -173.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.436 ' H ' ' HB3' ' A' ' 126' ' ' ALA . 12.6 pt-20 -169.61 179.74 3.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.614 0.245 . . . . 0.0 110.778 -178.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -116.05 153.62 31.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.639 175.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -127.7 147.02 50.38 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 172.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.486 ' NE ' HG21 ' A' ' 121' ' ' THR . 46.6 ttt180 -95.57 146.07 24.74 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.991 0.424 . . . . 0.0 111.33 -174.137 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -140.66 153.53 46.04 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.955 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -96.92 154.01 17.55 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 173.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.619 HG21 HD21 ' A' ' 8' ' ' LEU . 3.4 mp -83.52 122.0 37.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.096 0.474 . . . . 0.0 110.437 -174.442 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 3.7 m -109.68 154.17 11.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.803 178.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.465 ' HA ' ' O ' ' A' ' 3' ' ' THR . 44.9 mtm180 -78.45 158.55 76.22 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.818 179.389 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -72.85 99.01 1.03 Allowed 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.835 1.69 . . . . 0.0 111.576 174.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--N 1.319 -0.74 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.898 -179.723 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.673 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 24.0 ttt . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 120.733 0.302 . . . . 0.0 111.301 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -113.71 134.41 54.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.88 176.51 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.5 t -157.6 144.88 18.4 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.817 0.341 . . . . 0.0 110.726 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.548 ' HB ' ' OD1' ' A' ' 6' ' ' ASP . 0.7 OUTLIER -74.51 151.2 87.26 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.031 -175.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -62.32 -31.32 81.73 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.919 2.412 . . . . 0.0 112.361 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.548 ' OD1' ' HB ' ' A' ' 4' ' ' THR . 5.7 p-10 -66.77 -32.88 74.47 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.621 178.253 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.548 ' O ' HG13 ' A' ' 11' ' ' ILE . 46.3 mm -67.94 -44.69 84.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 174.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.8 mt -58.95 -38.17 78.44 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.807 177.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.503 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 32.3 t70 -63.7 -47.16 82.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.28 0.562 . . . . 0.0 110.496 176.337 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -60.37 -31.36 70.27 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.18 176.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.548 HG13 ' O ' ' A' ' 7' ' ' ILE . 78.5 mt -68.03 -49.07 71.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.158 177.135 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' A' ' 9' ' ' ASP . 16.3 ptt180 -64.32 -36.72 85.05 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.634 0.254 . . . . 0.0 110.772 -178.025 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.6 t -69.13 -39.19 79.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.993 0.425 . . . . 0.0 109.89 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.667 ' HE1' ' HD3' ' A' ' 44' ' ' ARG . 80.9 t60 -59.09 -28.92 66.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.404 178.4 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.42 -47.51 90.77 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.483 -0.865 . . . . 0.0 111.966 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.8 -36.95 62.48 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.198 0.523 . . . . 0.0 110.959 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.427 ' HB3' ' HA ' ' A' ' 14' ' ' HIS . 17.1 t70 -67.09 -39.6 86.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.174 -174.697 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.429 ' HB1' ' HA3' ' A' ' 23' ' ' GLY . . . -75.55 -38.7 59.05 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.733 -177.124 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -71.31 159.22 86.19 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.358 -175.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -73.17 -4.2 14.96 Favored 'Cis proline' 0 N--CA 1.477 0.512 0 C-N-CA 124.029 -1.238 . . . . 0.0 114.195 4.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -67.66 157.31 34.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.159 0.504 . . . . 0.0 111.291 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -71.2 98.38 1.7 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.853 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.429 ' HA3' ' HB1' ' A' ' 18' ' ' ALA . . . -81.89 52.7 4.64 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.07 -0.586 . . . . 0.0 113.21 -175.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.6 p -68.49 153.69 43.27 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 120.957 0.408 . . . . 0.0 111.373 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -175.39 175.96 47.26 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.58 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -124.24 160.84 27.06 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.747 0.308 . . . . 0.0 110.457 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.4 mt -94.29 112.06 23.84 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.557 178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.559 HD22 ' HB2' ' A' ' 71' ' ' ALA . 51.0 mt -104.72 132.38 51.03 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.136 0.493 . . . . 0.0 110.424 -177.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.541 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . -173.23 -146.31 5.42 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.493 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.5 p -129.95 159.57 36.24 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.808 0.337 . . . . 0.0 110.778 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.1 t -88.04 106.22 16.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 175.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.628 ' HB ' ' HE ' ' A' ' 38' ' ' ARG . 3.3 t -99.04 152.35 19.92 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.475 -1.239 . . . . 0.0 110.035 -173.331 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 67.95 -0.75 1.94 Allowed 'General case' 0 N--CA 1.462 0.159 0 O-C-N 123.69 0.619 . . . . 0.0 110.433 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.0 t70 51.95 61.99 2.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.657 -1.156 . . . . 0.0 109.623 -170.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.47 -31.82 0.16 Allowed Glycine 0 N--CA 1.444 -0.819 0 CA-C-N 114.341 -1.3 . . . . 0.0 111.962 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -107.03 178.2 4.63 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.855 ' HB2' ' HB ' ' A' ' 79' ' ' VAL . 20.9 p-10 -136.9 128.16 28.07 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.056 0.455 . . . . 0.0 111.15 -173.229 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.628 ' HE ' ' HB ' ' A' ' 32' ' ' THR . 9.8 ptp180 -115.79 145.42 42.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.288 0.566 . . . . 0.0 110.7 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.6 t -101.66 117.85 47.58 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.02 -177.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -107.58 -24.81 11.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.468 -176.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -152.61 153.77 34.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.225 0.536 . . . . 0.0 111.295 -176.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.7 mt -117.0 149.51 40.14 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.311 176.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -144.86 134.74 23.71 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 177.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.667 ' HD3' ' HE1' ' A' ' 14' ' ' HIS . 7.9 mmm180 -72.89 135.87 45.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.218 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.472 ' HB1' ' OD1' ' A' ' 63' ' ' ASP . . . . . . . . 0 C--N 1.317 -0.835 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.021 172.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.472 ' OD1' ' HB1' ' A' ' 45' ' ' ALA . 36.2 t70 . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -52.18 -45.35 65.11 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -173.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.4 ' HA ' ' HB3' ' A' ' 68' ' ' ASP . 4.3 mmt180 -53.55 -34.16 57.28 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -178.256 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.73 -47.52 75.03 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.536 -178.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.75 -35.8 75.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.231 0.539 . . . . 0.0 109.989 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.4 ' HB3' ' HA ' ' A' ' 65' ' ' ARG . 13.7 t70 -62.84 -48.59 78.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.019 178.564 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.45 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -69.25 -49.84 52.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.099 -177.65 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.68 -34.48 69.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.119 -177.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.559 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -63.05 -52.18 63.78 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.211 177.185 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -64.66 -35.23 80.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.85 -178.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 54.8 mt-10 -60.85 -38.25 84.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.43 0.633 . . . . 0.0 110.888 176.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -90.01 5.78 45.09 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.963 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.98 16.89 79.28 Favored Glycine 0 C--N 1.329 0.192 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.647 178.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 67.1 mt -114.1 -176.83 2.99 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -150.15 170.75 18.19 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 173.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.8 t -77.32 108.26 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.91 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.855 ' HB ' ' HB2' ' A' ' 37' ' ' ASN . 29.0 m -102.92 -6.45 9.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.445 -177.248 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.433 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -176.3 174.44 46.96 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.412 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.5 t -121.4 152.03 24.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -135.61 134.91 39.79 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.252 -177.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -150.35 150.5 31.52 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.762 174.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.4 p -103.97 144.64 31.26 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 177.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.447 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 1.7 t60 -130.38 138.41 32.99 Favored Pre-proline 0 C--N 1.319 -0.718 0 C-N-CA 119.497 -0.881 . . . . 0.0 111.85 -170.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.464 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 61.4 Cg_endo -104.76 -171.45 0.06 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.147 0 C-N-CA 124.32 3.347 . . . . 0.0 110.571 165.017 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.464 ' HB3' ' O ' ' A' ' 86' ' ' PRO . 19.8 t70 70.81 -69.7 0.17 Allowed 'General case' 0 N--CA 1.474 0.749 0 CA-C-O 120.807 0.337 . . . . 0.0 110.449 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 61.0 m80 -107.2 140.27 21.28 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 167.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -84.57 -58.9 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 121.543 1.495 . . . . 0.0 115.025 -165.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.421 ' O ' ' HZ2' ' A' ' 123' ' ' TRP . . . -128.95 43.24 3.18 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.121 0.486 . . . . 0.0 111.328 -170.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.542 ' HB2' ' HD2' ' A' ' 92' ' ' PRO . 34.9 ptt85 -164.83 161.62 15.02 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.003 172.409 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.542 ' HD2' ' HB2' ' A' ' 91' ' ' ARG . 39.6 Cg_endo -66.7 -174.75 0.49 Allowed 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.629 2.219 . . . . 0.0 113.286 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.474 ' H ' ' HB3' ' A' ' 96' ' ' ASP . 49.3 m -151.08 -169.88 3.51 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.335 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.46 -49.28 74.28 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -171.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.2 m -79.47 -34.86 41.07 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.805 0.336 . . . . 0.0 110.53 -177.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.474 ' HB3' ' H ' ' A' ' 93' ' ' SER . 3.7 t70 -58.87 -39.57 81.77 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.638 176.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -69.28 -45.33 69.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.433 177.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -62.13 -39.37 92.34 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -173.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -79.88 -17.28 53.54 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.6 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -83.24 67.19 9.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.302 0.572 . . . . 0.0 110.418 177.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.7 m -95.89 11.94 32.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.453 -175.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -120.38 86.92 39.69 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.21 0.528 . . . . 0.0 111.44 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.478 ' HA ' HD23 ' A' ' 125' ' ' LEU . 66.4 Cg_endo -76.26 88.81 1.31 Allowed 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.552 2.168 . . . . 0.0 112.457 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -172.04 21.94 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.082 176.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.433 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 92.0 m-85 -141.47 163.67 32.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.558 0.218 . . . . 0.0 110.545 -177.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.0 m -92.75 138.42 31.51 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 173.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -111.46 114.41 27.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.826 0.346 . . . . 0.0 111.232 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.4 t -98.08 116.54 41.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.028 0.442 . . . . 0.0 109.918 175.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.0 mt -111.77 117.9 56.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.322 177.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.6 p -109.57 136.91 44.06 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-O 121.191 0.52 . . . . 0.0 110.195 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.48 ' HB3' ' H ' ' A' ' 119' ' ' ALA . 32.7 t -81.19 107.25 13.83 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.296 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 65.6 t -118.48 115.68 48.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.588 178.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.516 ' HB2' ' HB3' ' A' ' 116' ' ' ALA . 19.4 mtp180 -91.66 49.29 1.55 Allowed 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.848 -176.55 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 30.7 t70 62.74 84.13 0.15 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.79 -178.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 81.99 -2.19 84.54 Favored Glycine 0 N--CA 1.452 -0.252 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.482 -179.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.516 ' HB3' ' HB2' ' A' ' 113' ' ' ARG . . . -120.84 112.43 33.66 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 122.618 -0.342 . . . . 0.0 111.401 -178.353 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 116' ' ' ALA . 4.4 Cg_exo -77.82 118.18 4.41 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.998 2.465 . . . . 0.0 111.327 176.085 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.475 ' OE2' ' HD2' ' A' ' 113' ' ' ARG . 42.4 tt0 -100.11 -69.04 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.803 0.335 . . . . 0.0 110.976 -177.403 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.48 ' H ' ' HB3' ' A' ' 111' ' ' SER . . . -144.17 154.89 43.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.801 -177.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.2 tt -119.15 128.69 54.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 37.3 p -131.72 141.24 49.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.631 0.253 . . . . 0.0 111.123 -177.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -113.05 133.53 54.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.851 0.358 . . . . 0.0 110.192 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.421 ' HZ2' ' O ' ' A' ' 90' ' ' ALA . 70.5 m95 -128.74 149.81 50.55 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.288 -173.564 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -110.79 131.06 55.37 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.411 174.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 103' ' ' PRO . 50.7 tp -81.11 139.61 35.54 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.458 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . . . -61.64 142.77 94.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.455 177.623 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 126' ' ' ALA . 32.1 Cg_exo -59.15 -21.34 59.03 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.919 2.413 . . . . 0.0 112.756 -177.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -113.78 26.22 10.54 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 46.15 34.03 1.96 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.044 0.938 . . . . 0.0 111.966 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.36 -39.92 77.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.629 -179.392 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -178.71 -174.52 0.37 Allowed 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.067 -175.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.451 ' CD1' ' HG3' ' A' ' 92' ' ' PRO . 82.5 m-85 -106.04 144.46 32.72 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 176.022 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -124.48 146.2 49.08 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 176.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 18.1 tpt85 -79.24 134.81 36.65 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.433 -175.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -131.49 162.1 31.01 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.449 -176.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -101.92 144.13 30.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.87 0.367 . . . . 0.0 111.337 -174.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 58.8 mt -96.63 131.93 42.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.531 -178.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.55 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 1.3 m -109.59 150.09 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.93 0.395 . . . . 0.0 110.829 178.596 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.554 ' HG2' ' HD2' ' A' ' 140' ' ' PRO . 9.5 ttp180 -94.04 139.59 22.63 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.476 -175.122 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.554 ' HD2' ' HG2' ' A' ' 139' ' ' ARG . 29.6 Cg_exo -27.23 125.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.762 1 C-N-CA 125.743 4.295 . . . . 0.0 115.817 -177.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.319 -0.728 0 CA-C-N 114.223 -1.353 . . . . 0.0 110.287 177.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.531 ' HA ' ' O ' ' A' ' 138' ' ' VAL . 12.3 mptt -106.02 120.59 42.17 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.882 0.372 . . . . 0.0 110.745 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.0 t -159.4 173.87 15.58 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.45 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.8 p -103.1 156.09 35.79 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 120.766 0.317 . . . . 0.0 110.711 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.404 ' HA ' HD12 ' A' ' 8' ' ' LEU . 11.8 Cg_endo -57.42 -29.38 84.26 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.832 2.354 . . . . 0.0 111.841 176.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.91 -40.05 91.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.271 176.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.481 ' O ' HG13 ' A' ' 11' ' ' ILE . 50.3 mm -73.31 -40.22 56.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.345 -0.389 . . . . 0.0 109.969 177.241 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.541 HD11 HG21 ' A' ' 137' ' ' ILE . 95.0 mt -56.41 -43.32 79.24 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.392 178.601 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -60.43 -47.88 84.2 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.485 177.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -57.37 -39.96 77.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.741 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 7' ' ' ILE . 72.5 mt -59.63 -48.95 85.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.872 0.367 . . . . 0.0 110.6 178.069 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.8 ttp180 -65.32 -43.65 90.31 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.384 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.0 t -64.7 -48.3 85.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.315 -178.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 44.0 m80 -66.1 -28.59 68.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.557 0.218 . . . . 0.0 111.578 -177.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.4 -49.29 75.46 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.034 176.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.519 ' HB2' ' HG3' ' A' ' 117' ' ' PRO . . . -74.1 -26.98 60.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.886 0.374 . . . . 0.0 110.953 177.604 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -65.17 -38.52 90.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.109 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.54 -27.28 55.87 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.276 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.745 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 4.7 t80 -59.48 150.12 66.77 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.805 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.745 ' HA ' ' CG ' ' A' ' 19' ' ' TYR . 5.5 Cg_exo -78.41 -4.51 34.47 Favored 'Cis proline' 0 C--N 1.352 0.716 0 C-N-CA 124.703 -0.957 . . . . 0.0 114.002 5.032 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -75.41 152.79 37.95 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -72.31 111.7 7.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.336 0.589 . . . . 0.0 110.666 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.8 -81.19 0.43 Allowed Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.533 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 58.0 m 66.8 160.04 0.14 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.261 0.553 . . . . 0.0 111.487 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.479 ' HA2' ' N ' ' A' ' 45' ' ' ALA . . . 176.9 -175.29 47.59 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.204 -0.998 . . . . 0.0 112.674 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -120.17 153.39 36.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.785 0.326 . . . . 0.0 110.215 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.9 mt -94.04 121.98 36.08 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.603 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.563 HD22 ' HB2' ' A' ' 71' ' ' ALA . 62.6 mt -104.08 131.84 50.94 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.102 0.477 . . . . 0.0 110.012 -178.652 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.473 ' HA2' HD13 ' A' ' 76' ' ' LEU . . . 178.3 -148.28 8.4 Favored Glycine 0 N--CA 1.442 -0.956 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -178.271 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.483 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -137.09 147.18 45.91 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.259 179.123 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.5 t -97.88 123.88 50.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 174.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 59.4 p -79.92 172.5 13.69 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.374 0.607 . . . . 0.0 111.66 -174.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -59.86 -36.56 77.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.072 172.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -76.94 -3.99 41.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.127 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.27 25.91 35.23 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.271 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -85.47 133.59 34.09 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 121.104 0.478 . . . . 0.0 110.02 177.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -98.88 103.16 15.09 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 174.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 30' ' ' THR . 29.6 ptt180 -112.24 143.75 42.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.296 0.57 . . . . 0.0 110.294 -176.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.0 t -114.74 120.26 63.88 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.638 -173.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -114.92 -8.88 12.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.554 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.503 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -149.17 150.4 32.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.863 0.363 . . . . 0.0 111.223 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.8 mt -121.1 156.62 31.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.193 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -163.38 132.33 3.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.36 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -71.96 137.24 47.18 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 174.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.824 ' HB1' ' HB3' ' A' ' 63' ' ' ASP . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 123.742 0.651 . . . . 0.0 112.552 -171.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.824 ' HB3' ' HB1' ' A' ' 45' ' ' ALA . 5.1 m-20 . . . . . 0 C--O 1.235 0.319 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -68.62 -42.65 77.78 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.41 -175.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.6 mtp85 -56.75 -39.77 74.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.636 0.255 . . . . 0.0 111.676 -175.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.88 -36.08 67.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.966 0.412 . . . . 0.0 111.237 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.23 -39.29 78.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.24 -40.2 95.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.738 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.22 -48.59 64.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.833 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.0 -34.08 74.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.114 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.563 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -61.03 -51.39 69.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.883 0.373 . . . . 0.0 110.462 176.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -64.17 -33.03 74.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.489 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -57.95 -43.73 86.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.061 0.458 . . . . 0.0 111.92 174.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -84.63 -12.21 54.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.843 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.72 33.0 31.75 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.81 -0.71 . . . . 0.0 111.441 -176.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.473 HD13 ' HA2' ' A' ' 29' ' ' GLY . 81.4 mt -125.52 -176.57 3.63 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.355 -0.422 . . . . 0.0 110.038 -177.265 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -136.63 177.45 7.84 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 174.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 42.8 t -85.3 111.07 20.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.432 -178.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.9 m -98.89 -10.28 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.494 -176.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.418 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -177.57 178.7 48.37 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.264 -179.213 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.6 t -135.48 154.53 35.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.596 ' HB3' ' HB ' ' A' ' 108' ' ' VAL . 54.0 p90 -142.35 140.2 32.02 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.086 0.469 . . . . 0.0 110.624 178.453 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -145.8 153.94 41.46 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.9 m -102.1 155.69 18.03 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 120.868 0.366 . . . . 0.0 110.689 -170.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.459 ' HB3' ' HB2' ' A' ' 88' ' ' HIS . 19.9 m170 -110.59 89.21 8.66 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.73 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.437 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 17.0 Cg_endo -58.86 120.8 8.89 Favored 'Trans proline' 0 C--O 1.237 0.473 0 C-N-CA 121.947 1.765 . . . . 0.0 111.071 174.573 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.437 ' HB3' ' O ' ' A' ' 86' ' ' PRO . 27.1 t70 76.41 -38.48 0.33 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.647 0.779 . . . . 0.0 111.863 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.459 ' HB2' ' HB3' ' A' ' 85' ' ' HIS . 29.3 m80 -78.92 154.6 77.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 120.71 0.29 . . . . 0.0 110.575 177.39 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 88' ' ' HIS . 3.6 Cg_exo -82.18 -174.14 2.0 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.719 2.28 . . . . 0.0 112.04 176.113 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.1 -165.89 0.14 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.156 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.403 ' HG2' ' HZ2' ' A' ' 123' ' ' TRP . 54.6 mtt85 66.64 144.43 0.09 OUTLIER Pre-proline 0 CA--C 1.532 0.279 0 C-N-CA 123.241 0.616 . . . . 0.0 110.796 -176.187 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.66 125.65 13.58 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.494 2.129 . . . . 0.0 112.452 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.1 m -84.52 -177.86 6.73 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.935 175.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.33 83.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.734 0.302 . . . . 0.0 111.054 -178.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.8 m -64.02 -38.48 91.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.173 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.07 -42.96 99.47 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.922 0.391 . . . . 0.0 110.363 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.8 tt -68.96 -43.41 75.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.014 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -62.43 -39.1 92.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.23 -177.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -98.3 17.44 18.74 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.717 -177.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.505 ' HB1' HD22 ' A' ' 125' ' ' LEU . . . -85.31 78.93 9.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 109.603 173.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.4 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 4.5 m -83.35 -26.38 30.57 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.315 -0.857 . . . . 0.0 112.177 -172.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -120.32 88.7 42.46 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -169.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 101' ' ' THR . 13.5 Cg_exo -67.97 -178.92 1.86 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.822 2.348 . . . . 0.0 111.978 177.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 91.11 -40.66 2.95 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.686 -177.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.418 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 95.8 m-85 -77.69 152.81 33.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.684 0.278 . . . . 0.0 110.268 176.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.7 m -91.33 123.67 34.94 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 176.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.423 ' CD2' ' HE2' ' A' ' 132' ' ' PHE . 82.4 m-85 -93.07 117.0 29.57 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.185 -179.313 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.596 ' HB ' ' HB3' ' A' ' 82' ' ' TYR . 97.6 t -103.52 120.71 53.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.193 0.52 . . . . 0.0 110.516 177.353 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 29.9 mm -110.52 117.77 55.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.496 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.489 ' HA ' ' HA ' ' A' ' 120' ' ' LEU . 6.5 p -112.55 134.22 55.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.425 0.631 . . . . 0.0 111.017 -178.288 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.777 ' HB2' ' HB3' ' A' ' 118' ' ' GLU . 49.7 m -81.0 118.02 22.11 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.551 177.613 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 55.9 t -121.12 115.12 45.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 174.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.3 ttt85 -117.86 75.0 0.97 Allowed 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 120.573 -0.451 . . . . 0.0 109.892 -175.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.633 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 19.0 t70 48.69 86.89 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 114.669 -1.15 . . . . 0.0 112.087 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.531 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 82.0 -37.64 2.53 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.702 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -104.7 104.5 46.13 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 121.002 0.429 . . . . 0.0 112.025 -176.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.531 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 3.3 Cg_exo -78.07 127.57 8.55 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 122.928 2.419 . . . . 0.0 111.277 172.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.777 ' HB3' ' HB2' ' A' ' 111' ' ' SER . 31.8 tt0 -73.61 -77.05 0.11 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.022 0.439 . . . . 0.0 110.387 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -154.22 159.72 41.48 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.101 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.571 ' H ' HD13 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -111.35 136.92 49.79 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 175.232 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 25.7 p -122.04 138.17 54.54 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.508 -177.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.04 136.97 47.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.922 0.392 . . . . 0.0 110.142 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.403 ' HZ2' ' HG2' ' A' ' 91' ' ' ARG . 77.3 m95 -135.31 145.16 47.21 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.283 -174.078 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -109.86 127.89 54.99 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.657 174.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.505 HD22 ' HB1' ' A' ' 100' ' ' ALA . 61.6 tp -85.26 130.26 34.64 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.02 135.75 95.31 Favored Pre-proline 0 N--CA 1.449 -0.501 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 174.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -58.04 -22.56 56.09 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.907 2.405 . . . . 0.0 112.636 -176.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -83.09 -4.51 58.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.215 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? 63.87 24.1 13.6 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.532 0.52 . . . . 0.0 110.554 -176.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 20.2 p -72.27 -50.97 23.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.636 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -163.8 -178.02 5.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.323 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.423 ' HE2' ' CD2' ' A' ' 107' ' ' TYR . 72.3 m-85 -106.2 154.19 21.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.169 173.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -123.31 142.4 50.99 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -69.86 137.89 52.08 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.769 -175.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -114.06 149.56 35.29 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.016 175.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -107.26 148.75 28.56 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 121.409 0.623 . . . . 0.0 111.467 -176.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.541 HG21 HD11 ' A' ' 8' ' ' LEU . 45.7 mm -92.4 113.33 27.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.235 174.588 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 0.5 OUTLIER -130.96 155.48 41.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -178.585 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 54.5 mtm180 -88.73 127.76 55.03 Favored Pre-proline 0 C--N 1.317 -0.835 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.862 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -64.56 173.86 5.02 Favored 'Trans proline' 0 C--O 1.238 0.489 0 C-N-CA 122.945 2.43 . . . . 0.0 112.696 -177.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.854 179.514 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.5 ttt . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 120.587 0.232 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.73 ' HB3' ' HG3' ' A' ' 140' ' ' PRO . 13.7 mptt -93.61 137.82 32.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.081 174.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.474 HG22 HG23 ' A' ' 137' ' ' ILE . 13.5 t -158.19 174.01 15.83 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 174.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.7 p -123.74 156.65 64.7 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.957 -177.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -51.58 -33.3 47.69 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.468 2.779 . . . . 0.0 112.483 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.489 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 3.8 m-20 -56.65 -49.55 74.72 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.479 178.067 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.543 ' O ' HG13 ' A' ' 11' ' ' ILE . 50.9 mm -66.67 -45.41 88.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.462 -177.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.464 HD11 HG21 ' A' ' 137' ' ' ILE . 98.2 mt -59.37 -42.33 91.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.384 -178.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -69.21 -41.35 77.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.543 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 55.6 mt-30 -57.75 -38.35 75.22 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.2 177.146 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 7' ' ' ILE . 78.9 mt -60.14 -41.26 86.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.767 0.318 . . . . 0.0 110.531 177.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.608 ' HG2' HD11 ' A' ' 120' ' ' LEU . 57.4 mtm180 -65.16 -49.69 68.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.651 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.9 t -66.29 -49.1 78.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.039 -176.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -67.47 -27.84 67.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.253 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.16 -49.52 52.47 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.002 176.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.41 -29.83 67.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.167 0.508 . . . . 0.0 110.445 177.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -60.0 -37.82 80.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.985 175.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.09 -43.75 77.81 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.33 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -58.64 145.67 76.57 Favored Pre-proline 0 N--CA 1.465 0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.206 -177.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -80.38 -3.45 42.03 Favored 'Cis proline' 0 CA--C 1.535 0.542 0 C-N-CA 123.859 -1.309 . . . . 0.0 113.75 4.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -80.95 176.4 9.85 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.56 139.24 32.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.223 0.535 . . . . 0.0 111.586 -174.221 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.8 -82.08 1.02 Allowed Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.731 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.492 ' O ' ' HA ' ' A' ' 44' ' ' ARG . 26.2 p 47.03 -166.42 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.915 0.886 . . . . 0.0 112.784 178.153 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 137.71 -152.53 21.71 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.357 -0.925 . . . . 0.0 112.742 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -120.37 166.71 13.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.912 0.387 . . . . 0.0 111.14 -173.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.409 HD13 HG21 ' A' ' 39' ' ' VAL . 64.4 mt -111.29 130.53 55.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.406 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.546 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 60.3 mt -114.47 144.95 42.51 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.556 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . 179.16 -162.37 29.19 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 119.691 -1.242 . . . . 0.0 113.093 179.411 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.5 p -110.16 158.63 18.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.341 -0.43 . . . . 0.0 110.681 -178.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.1 t -91.68 119.83 39.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 172.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.5 m -89.26 -47.66 7.9 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.586 0.708 . . . . 0.0 111.738 -166.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.45 ' HB2' ' H ' ' A' ' 36' ' ' ASP . 4.9 m-20 -101.22 2.69 40.21 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.184 -174.223 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.1 t70 61.98 28.48 17.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 122.797 1.284 . . . . 0.0 108.171 -170.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.25 -32.54 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 113.39 -1.732 . . . . 0.0 110.72 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.45 ' H ' ' HB2' ' A' ' 33' ' ' ASP . 43.4 t0 -112.42 153.93 26.59 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 174.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.455 ' HB2' ' HB ' ' A' ' 79' ' ' VAL . 28.3 p30 -109.39 150.88 27.41 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.874 -171.256 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.556 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 77.3 ttt180 -116.61 137.78 51.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.018 172.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.409 HG21 HD13 ' A' ' 27' ' ' LEU . 60.9 t -98.69 114.54 36.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.465 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.47 -10.63 8.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.254 -176.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.546 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -143.04 142.77 31.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.171 179.199 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.2 mt -108.89 141.55 40.79 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.576 -178.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -118.78 120.0 36.07 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 173.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.492 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 56.4 mtp180 -90.71 137.58 32.25 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 173.504 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 123.237 0.336 . . . . 0.0 111.14 -176.997 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.48 ' HA ' ' HB3' ' A' ' 66' ' ' ALA . 2.1 p-10 . . . . . 0 N--CA 1.462 0.14 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -69.19 -48.07 63.12 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 172.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -36.75 84.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.882 174.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.48 ' HB3' ' HA ' ' A' ' 63' ' ' ASP . . . -68.82 -33.65 74.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.056 178.037 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.91 -41.52 78.07 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 120.944 0.402 . . . . 0.0 110.05 178.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -65.83 -43.32 88.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.753 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.523 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -60.99 -53.89 51.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.855 178.259 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.35 -36.03 77.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.938 0.399 . . . . 0.0 111.094 -178.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.526 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -63.8 -51.31 65.33 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.798 175.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -59.34 -41.88 90.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.419 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 75.3 mm-40 -55.87 -40.1 72.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.843 176.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -87.37 -7.15 58.07 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.15 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.08 27.69 36.47 Favored Glycine 0 N--CA 1.454 -0.125 0 C-N-CA 120.577 -0.821 . . . . 0.0 111.951 -178.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.3 mt -120.06 -173.16 2.49 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -152.5 177.39 10.68 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 169.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.0 t -78.97 110.5 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.901 0.381 . . . . 0.0 110.185 -177.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.455 ' HB ' ' HB2' ' A' ' 37' ' ' ASN . 27.4 m -99.3 -24.41 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.803 -175.528 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.454 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -165.38 -171.37 31.51 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 119.924 -1.132 . . . . 0.0 113.213 -177.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.8 t -137.58 159.65 34.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -139.22 136.34 34.88 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.234 0.54 . . . . 0.0 110.361 176.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -128.79 138.34 52.02 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.354 -176.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.9 m -105.24 155.86 18.66 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.909 0.385 . . . . 0.0 110.685 -174.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.455 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 60.1 m80 -131.97 143.08 47.53 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 175.486 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.614 ' O ' ' HA ' ' A' ' 113' ' ' ARG . 6.3 Cg_exo -80.13 -15.33 11.66 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.001 2.467 . . . . 0.0 112.971 -177.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -172.7 102.84 0.14 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.192 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.425 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 0.1 OUTLIER -176.62 149.72 0.91 Allowed Pre-proline 0 N--CA 1.466 0.358 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 177.507 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 88' ' ' HIS . 6.1 Cg_exo -75.59 62.14 6.26 Favored 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 122.552 2.168 . . . . 0.0 113.111 -178.216 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 46.72 30.25 1.13 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.406 1.082 . . . . 0.0 113.072 176.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.46 ' HB2' ' HD2' ' A' ' 92' ' ' PRO . 14.0 ptp180 -123.3 159.02 56.56 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.46 ' HD2' ' HB2' ' A' ' 91' ' ' ARG . 57.6 Cg_endo -70.67 155.06 63.69 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.643 2.229 . . . . 0.0 112.381 178.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.8 m -109.24 178.5 4.43 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 176.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.76 -43.73 72.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.009 0.433 . . . . 0.0 111.014 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 41.2 m -62.17 -38.64 89.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.666 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -62.44 -40.92 98.14 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.851 0.357 . . . . 0.0 110.336 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -68.5 -44.23 75.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.928 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -63.73 -33.03 74.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.081 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -88.88 -2.43 58.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.393 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.15 78.79 6.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.405 0.622 . . . . 0.0 110.705 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.3 m -110.01 0.62 18.56 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.462 0.649 . . . . 0.0 110.571 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -119.19 86.84 33.52 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.195 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -74.13 156.7 46.9 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.235 1.957 . . . . 0.0 111.834 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 120.98 -25.71 7.03 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.197 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.454 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 94.2 m-85 -100.6 154.56 18.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.874 0.369 . . . . 0.0 110.897 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 21.9 m -91.32 135.94 33.45 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 175.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -105.19 111.53 24.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.682 0.277 . . . . 0.0 110.753 -176.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 84.7 t -96.32 126.24 49.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.226 0.536 . . . . 0.0 110.402 176.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.4 mt -114.02 125.9 71.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.705 -178.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.609 HG23 ' HG ' ' A' ' 120' ' ' LEU . 5.6 p -116.11 128.82 73.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.648 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.6 m -88.49 107.65 18.99 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.926 176.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 86' ' ' PRO . 47.3 t -120.77 113.8 41.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 172.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.614 ' HA ' ' O ' ' A' ' 86' ' ' PRO . 41.9 mtt180 -97.23 95.98 8.1 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.641 -173.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 22.3 t70 60.85 21.84 11.96 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.965 176.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 121.11 -11.64 9.9 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.453 -0.879 . . . . 0.0 112.738 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -102.69 109.79 61.74 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.88 0.34 . . . . 0.0 111.057 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -73.92 122.13 7.47 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.53 2.153 . . . . 0.0 112.168 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -103.51 -75.9 0.6 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.557 -175.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -126.91 142.59 51.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.21 0.528 . . . . 0.0 111.63 -173.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.609 ' HG ' HG23 ' A' ' 110' ' ' VAL . 6.6 mp -119.7 138.35 53.35 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.402 176.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.691 HG21 HH11 ' A' ' 134' ' ' ARG . 3.9 m -150.12 156.65 42.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.856 0.36 . . . . 0.0 110.268 177.048 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -112.15 141.8 45.4 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.802 177.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -126.61 138.66 53.47 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.342 -176.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.33 130.08 52.19 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.331 176.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 47.5 tp -80.06 135.33 36.32 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.433 ' HB3' ' H ' ' A' ' 131' ' ' GLU . . . -55.41 142.52 59.81 Favored Pre-proline 0 C--N 1.328 -0.356 0 O-C-N 123.502 0.501 . . . . 0.0 109.903 177.254 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -27.98 -54.48 0.13 Allowed 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 124.963 3.775 . . . . 0.0 115.034 -172.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -125.82 69.78 1.19 Allowed 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.262 -0.575 . . . . 0.0 111.954 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 55.1 mtm180 58.18 32.08 21.57 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.858 166.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 15.5 m -84.81 -51.17 6.96 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.576 -176.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.433 ' H ' ' HB3' ' A' ' 126' ' ' ALA . 10.6 pt-20 -166.21 -178.61 4.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.43 -176.185 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -108.05 144.58 35.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.384 178.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -124.84 146.04 49.48 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.552 175.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.691 HH11 HG21 ' A' ' 121' ' ' THR . 10.7 tpp180 -69.59 137.04 51.99 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.114 -179.458 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -131.67 149.12 52.6 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.926 0.393 . . . . 0.0 110.021 178.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -93.42 157.5 16.19 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.506 -176.241 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.474 HG23 HG22 ' A' ' 3' ' ' THR . 2.4 mp -93.12 113.8 28.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.728 177.166 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.481 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 11.6 m -110.29 151.42 12.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.237 0.541 . . . . 0.0 110.714 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.51 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 86.1 mtt180 -106.12 137.81 19.49 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.625 -174.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.73 ' HG3' ' HB3' ' A' ' 2' ' ' LYS . 12.0 Cg_exo -69.77 135.46 30.48 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.882 2.388 . . . . 0.0 112.156 179.314 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.344 178.242 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ttt . . . . . 0 N--CA 1.477 0.903 0 CA-C-O 120.71 0.291 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.488 ' HB3' ' HG3' ' A' ' 140' ' ' PRO . 12.4 mptt -111.04 135.73 51.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.132 173.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.1 t -157.79 164.34 37.13 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 175.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.0 p -99.07 152.42 37.78 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-O 120.862 0.363 . . . . 0.0 111.24 -176.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -57.15 -33.57 96.12 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.385 2.723 . . . . 0.0 113.192 -177.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.404 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 4.1 p-10 -65.38 -33.15 75.28 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.571 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.583 ' O ' HG13 ' A' ' 11' ' ' ILE . 47.1 mm -70.11 -45.67 75.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 177.29 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.2 mt -58.85 -41.21 86.46 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.754 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -61.3 -47.17 87.19 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.419 175.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 95.4 mt-30 -61.66 -30.63 70.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.58 177.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.583 HG13 ' O ' ' A' ' 7' ' ' ILE . 75.0 mt -65.41 -49.91 75.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 C-N-CA 121.213 -0.195 . . . . 0.0 111.083 178.695 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -64.78 -38.36 90.74 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 120.83 0.347 . . . . 0.0 110.952 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.6 t -66.16 -42.98 92.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.332 176.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -56.09 -34.59 66.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.279 177.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.06 -50.1 59.17 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.66 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.56 -35.9 63.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.734 0.302 . . . . 0.0 111.495 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -68.96 -35.26 76.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.323 -175.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.97 -29.02 60.79 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.908 -178.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -66.47 158.47 78.3 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.11 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -72.74 -3.46 13.28 Favored 'Cis proline' 0 C--N 1.351 0.683 0 C-N-CA 124.541 -1.025 . . . . 0.0 113.987 5.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -75.16 169.9 17.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.892 0.377 . . . . 0.0 111.015 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -91.09 128.68 37.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.097 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -126.21 54.14 0.77 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.417 -0.897 . . . . 0.0 113.332 -177.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.6 p -84.05 -178.14 6.88 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 175.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 165.11 -162.93 36.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.343 -0.932 . . . . 0.0 112.866 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.733 ' HB2' ' HE1' ' A' ' 43' ' ' HIS . 10.6 m-85 -116.75 161.2 19.62 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 -178.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.45 HD22 HG11 ' A' ' 39' ' ' VAL . 80.6 mt -97.31 133.77 41.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.845 -177.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.537 HD22 ' HB2' ' A' ' 71' ' ' ALA . 77.7 mt -112.39 136.09 52.29 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.041 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.06 -152.37 9.82 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.043 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.91 158.76 43.62 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 120.634 0.254 . . . . 0.0 111.114 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -94.79 131.27 42.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.909 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 47.1 p -86.23 164.07 17.39 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.566 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -65.01 -13.9 59.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.658 0.266 . . . . 0.0 111.652 -177.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -78.0 -12.41 59.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.921 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.1 18.3 56.05 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.331 -174.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -117.21 161.17 19.9 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.6 p30 -105.59 147.63 28.2 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.823 0.821 . . . . 0.0 112.364 -172.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -116.2 110.08 18.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.948 -1.023 . . . . 0.0 109.58 174.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.45 HG11 HD22 ' A' ' 27' ' ' LEU . 57.9 t -83.85 118.42 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.08 -20.27 7.49 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -174.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.516 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -138.92 143.61 38.73 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.203 0.525 . . . . 0.0 111.91 -176.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.4 mt -116.44 155.7 28.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.791 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.733 ' HE1' ' HB2' ' A' ' 26' ' ' PHE . 32.7 p-80 -149.09 159.88 43.84 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.755 0.312 . . . . 0.0 110.322 173.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.2 mtm-85 -87.66 137.85 31.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.742 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.2 0 O-C-N 123.408 0.442 . . . . 0.0 110.497 177.878 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.7 t70 . . . . . 0 N--CA 1.464 0.231 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -55.39 -42.73 74.4 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.287 -177.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 62.2 mtt85 -66.98 -38.54 86.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.874 0.369 . . . . 0.0 111.541 -178.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.57 -41.7 75.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.297 176.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.64 -39.91 95.36 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.509 176.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -58.4 -44.86 89.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.753 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.06 -50.97 60.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.096 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.57 -35.44 80.49 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.339 -177.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.537 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -62.86 -51.93 65.09 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 177.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -40.14 82.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.571 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -56.46 -43.15 79.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.62 175.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -84.64 -2.02 56.88 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.2 -176.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.67 25.88 61.97 Favored Glycine 0 N--CA 1.454 -0.124 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.74 -178.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.4 mt -124.64 -178.67 4.21 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -144.23 170.18 16.47 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 173.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.6 t -80.3 110.59 16.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.2 m -106.22 -5.6 10.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.241 -0.436 . . . . 0.0 112.075 -174.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.496 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -178.18 -173.52 43.65 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.023 -1.084 . . . . 0.0 113.2 -179.01 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.443 ' HA ' ' HA ' ' A' ' 26' ' ' PHE . 3.4 t -137.55 158.64 34.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 -179.393 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -141.16 135.9 31.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.257 0.551 . . . . 0.0 110.937 176.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -148.18 153.0 38.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.81 177.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.416 ' HB3' HG13 ' A' ' 110' ' ' VAL . 9.6 p -103.96 156.33 17.94 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.995 0.426 . . . . 0.0 110.962 -174.241 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -120.43 88.56 42.67 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.473 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -76.99 -6.77 16.97 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.088 1.858 . . . . 0.0 111.43 173.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -89.86 -38.31 13.82 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.605 -1.179 . . . . 0.0 110.877 -177.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.448 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 68.8 m80 -139.81 143.57 35.29 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.863 -179.469 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 88' ' ' HIS . 18.8 Cg_exo -67.73 97.62 0.47 Allowed 'Trans proline' 0 C--O 1.238 0.477 0 C-N-CA 122.565 2.177 . . . . 0.0 112.13 178.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 65.57 -175.55 0.18 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.719 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.52 155.12 0.06 OUTLIER Pre-proline 0 N--CA 1.479 0.986 0 C-N-CA 125.195 1.398 . . . . 0.0 113.744 178.535 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -84.66 151.85 11.59 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.544 2.163 . . . . 0.0 113.057 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.5 m -104.05 -175.44 2.8 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.701 176.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.669 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -64.43 -49.25 72.24 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -174.532 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.418 ' HA ' ' OE1' ' A' ' 98' ' ' GLU . 26.4 m -73.84 -32.1 63.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.155 0.502 . . . . 0.0 110.338 -178.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.08 -38.02 81.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.729 175.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.3 tt -70.09 -39.75 75.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.456 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.669 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 49.2 mt-10 -60.81 -39.02 87.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.433 -176.496 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -80.04 -11.51 59.77 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.131 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.15 99.49 5.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.248 0.547 . . . . 0.0 110.044 176.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.478 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 3.5 m -131.08 29.09 4.72 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.602 0.715 . . . . 0.0 110.076 -177.205 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.432 ' HB3' ' CD1' ' A' ' 105' ' ' PHE . 65.4 m-85 -114.57 86.15 12.21 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.306 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.478 ' HD3' ' O ' ' A' ' 101' ' ' THR . 16.9 Cg_exo -67.84 125.31 12.99 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.665 2.244 . . . . 0.0 112.014 -179.51 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.46 -10.15 49.72 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.682 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.496 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 13.2 m-85 -96.46 138.57 33.85 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 86.9 m -92.62 130.86 38.13 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.486 ' CD2' ' HE1' ' A' ' 132' ' ' PHE . 98.8 m-85 -100.43 113.62 26.53 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.01 0.433 . . . . 0.0 110.432 -177.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 90.5 t -95.33 119.61 43.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.45 0.643 . . . . 0.0 109.324 175.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 78.9 mt -110.2 118.43 57.0 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.124 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.771 -178.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.416 HG13 ' HB3' ' A' ' 84' ' ' SER . 5.0 p -103.66 129.31 55.89 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.323 178.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.515 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 13.2 t -81.54 105.24 12.55 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.389 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 60.3 t -122.68 114.2 41.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 176.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -94.67 73.85 3.68 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 121.589 0.709 . . . . 0.0 109.7 -175.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.7 t70 52.7 62.78 2.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 113.825 -1.534 . . . . 0.0 110.944 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.423 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 105.64 -27.0 19.54 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.458 177.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.4 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . . . -93.57 109.93 43.94 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 111.525 0.194 . . . . 0.0 111.525 -177.551 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 4.2 Cg_exo -74.56 111.35 3.29 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.997 2.465 . . . . 0.0 111.576 177.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.515 ' HB3' ' HB3' ' A' ' 111' ' ' SER . 45.0 tt0 -91.03 -71.0 0.65 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 -176.185 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -152.7 158.82 42.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.114 0.483 . . . . 0.0 111.814 -176.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 39.6 mt -102.91 138.89 39.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.392 176.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.7 p -139.66 131.0 26.78 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 176.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.54 135.36 50.66 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.861 0.363 . . . . 0.0 110.269 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -130.21 136.98 49.82 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.023 -173.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.79 135.56 45.94 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.696 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 60.4 tp -89.18 138.77 31.13 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.151 -177.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.75 138.74 97.0 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 174.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.98 -24.45 76.47 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.907 2.404 . . . . 0.0 112.634 -176.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -84.66 -8.28 58.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.75 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.515 ' NH2' ' HA ' ' A' ' 98' ' ' GLU . 2.0 tmt_? 62.33 81.69 0.19 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.467 -176.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 24.8 p -137.25 -57.51 0.71 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.541 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -140.52 177.89 7.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.334 0.588 . . . . 0.0 110.677 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.486 ' HE1' ' CD2' ' A' ' 107' ' ' TYR . 89.0 m-85 -112.27 145.5 39.86 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.351 175.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -124.1 136.52 54.29 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.069 0.462 . . . . 0.0 110.55 175.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 134' ' ' ARG . 9.3 tpt180 -57.59 138.47 55.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.12 -177.608 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -124.7 161.8 25.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.693 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -102.04 148.1 25.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.088 0.471 . . . . 0.0 111.56 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 49.4 mm -97.82 115.07 36.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.275 176.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 1.4 t -120.68 155.01 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.201 0.524 . . . . 0.0 110.503 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.426 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 56.8 mtm180 -96.88 137.87 21.34 Favored Pre-proline 0 C--N 1.316 -0.884 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.786 178.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.488 ' HG3' ' HB3' ' A' ' 2' ' ' LYS . 16.5 Cg_exo -66.76 109.28 1.62 Allowed 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.817 2.344 . . . . 0.0 113.007 -177.551 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 . . . . . 0 C--N 1.33 -0.275 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 172.142 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ttt . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.739 0.305 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.515 ' HD2' HG23 ' A' ' 138' ' ' VAL . 0.1 OUTLIER -107.35 137.21 45.82 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 178.892 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.9 t -153.86 173.04 16.44 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.507 -176.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.455 ' HB ' ' HD2' ' A' ' 5' ' ' PRO . 40.0 p -120.04 163.8 26.05 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.918 -177.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.455 ' HD2' ' HB ' ' A' ' 4' ' ' THR . 32.6 Cg_exo -56.44 -34.53 94.86 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.123 2.549 . . . . 0.0 111.81 177.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -54.03 -46.1 71.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.971 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.465 ' O ' HG13 ' A' ' 11' ' ' ILE . 48.6 mm -75.65 -42.54 41.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.648 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.3 mt -56.39 -43.21 79.07 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.548 -178.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.431 ' O ' HG23 ' A' ' 13' ' ' VAL . 9.5 t70 -63.29 -45.37 91.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.734 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -60.74 -41.94 96.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.533 177.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 7' ' ' ILE . 83.6 mt -59.42 -50.08 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.134 0 CA-C-N 116.735 -0.211 . . . . 0.0 111.219 -179.366 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -66.11 -33.08 74.97 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.258 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 9' ' ' ASP . 73.5 t -69.05 -47.27 76.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.913 0.387 . . . . 0.0 110.356 176.589 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -65.74 -27.66 68.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.045 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.01 -45.04 96.93 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.991 173.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.9 -33.48 66.04 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.281 0.562 . . . . 0.0 110.619 177.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -61.7 -36.36 80.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.085 175.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.24 26.95 1.3 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.744 -1.117 . . . . 0.0 111.82 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.576 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -103.69 147.74 34.71 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 176.511 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.576 ' HA ' ' CG ' ' A' ' 19' ' ' TYR . 11.5 Cg_exo -71.09 -20.8 11.97 Favored 'Cis proline' 0 C--N 1.351 0.671 0 C-N-CA 123.984 -1.257 . . . . 0.0 113.404 2.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -167.79 175.02 7.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.553 0.216 . . . . 0.0 111.036 176.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 70.05 129.67 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 O-C-N 124.283 0.99 . . . . 0.0 111.09 -175.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.5 0.94 2.26 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -175.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.3 m -65.9 150.85 47.94 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.91 -164.53 14.5 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.941 -177.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -107.89 152.56 24.25 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.972 0.415 . . . . 0.0 110.989 -174.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.0 mt -94.35 126.75 39.8 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.678 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.5 mt -104.58 131.49 51.93 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.144 0.497 . . . . 0.0 110.227 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . -177.25 -159.41 22.36 Favored Glycine 0 N--CA 1.441 -1.008 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.556 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.84 150.55 48.36 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.987 0.422 . . . . 0.0 111.584 179.033 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.689 HG12 ' H ' ' A' ' 33' ' ' ASP . 59.7 t -89.73 134.2 29.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 174.077 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 33' ' ' ASP . 30.2 p -87.35 3.08 48.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.972 0.415 . . . . 0.0 111.954 -173.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.689 ' H ' HG12 ' A' ' 31' ' ' VAL . 38.1 m-20 73.68 -11.54 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 123.941 0.896 . . . . 0.0 111.942 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -69.74 -22.07 63.4 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.435 0.635 . . . . 0.0 109.48 174.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.56 -14.47 8.14 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.97 -176.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -97.86 167.93 10.62 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 120.876 0.37 . . . . 0.0 110.029 -178.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.527 HD22 ' HB ' ' A' ' 79' ' ' VAL . 20.3 p-10 -132.53 128.9 38.29 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.177 -177.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.403 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 20.4 ptt180 -105.76 143.39 33.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.271 0.557 . . . . 0.0 110.099 -178.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.6 t -101.98 123.32 55.11 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.985 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.52 -30.22 7.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.538 -176.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -148.04 169.59 19.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.991 0.424 . . . . 0.0 110.835 -178.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.6 mt -121.16 147.43 45.59 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.356 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -118.12 122.09 42.19 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.001 0.429 . . . . 0.0 109.997 174.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.1 mtt180 -96.12 137.63 34.91 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.276 -178.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.386 0 CA-C-O 121.28 0.562 . . . . 0.0 110.436 177.171 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.3 t70 . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 120.615 0.245 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -66.61 -44.88 80.92 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.416 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -59.74 -36.87 77.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.275 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.24 -36.92 74.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.638 177.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.92 -40.7 87.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.094 0.473 . . . . 0.0 109.918 176.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -58.6 -46.24 87.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.06 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.55 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -59.56 -53.67 55.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.941 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.81 -33.43 75.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.96 0.41 . . . . 0.0 110.82 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.02 -49.47 72.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.866 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 12.6 pt20 -68.49 -32.07 71.79 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.51 -179.084 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 48.6 mt-10 -61.64 -43.82 98.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.181 0.515 . . . . 0.0 111.18 175.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -83.13 -26.3 31.11 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.06 -177.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.57 33.23 7.23 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.367 -176.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.2 mt -121.47 174.65 6.63 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -132.79 173.83 10.96 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.2 t -84.6 102.65 10.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -178.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.527 ' HB ' HD22 ' A' ' 37' ' ' ASN . 29.9 m -87.51 -9.82 10.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.624 -176.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.428 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . 168.19 -169.06 41.25 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.178 -1.01 . . . . 0.0 112.924 179.204 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.9 t -136.32 151.38 28.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -178.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -123.66 143.38 50.29 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.581 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -133.22 149.68 51.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.918 -175.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.2 m -105.64 128.81 53.85 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.246 178.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -110.54 150.49 41.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.87 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.83 -162.82 0.05 OUTLIER 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 123.509 2.806 . . . . 0.0 112.843 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -73.34 49.31 0.27 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.726 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 11.6 m80 -147.58 165.73 17.94 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.016 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -45.49 147.19 2.85 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 123.48 2.787 . . . . 0.0 114.174 -176.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.14 14.27 11.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.698 -176.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -77.58 147.82 75.67 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 175.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -59.87 127.52 23.7 Favored 'Trans proline' 0 N--CA 1.463 -0.266 0 C-N-CA 122.839 2.359 . . . . 0.0 112.508 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.8 t -82.24 -173.16 4.38 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 175.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.75 -42.56 89.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.756 0.313 . . . . 0.0 110.549 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.6 m -69.63 -41.9 75.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.189 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.04 -41.54 88.09 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 176.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.67 -45.74 88.76 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.992 177.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.22 -30.5 69.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.584 -0.734 . . . . 0.0 112.02 -176.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -82.7 -16.2 49.02 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.917 0.339 . . . . 0.0 111.917 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.453 ' HB1' HD22 ' A' ' 125' ' ' LEU . . . -77.13 78.4 3.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.239 0.542 . . . . 0.0 110.691 178.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.3 m -105.69 -17.33 14.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.965 -179.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -109.41 88.79 6.46 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.183 0.516 . . . . 0.0 111.768 -174.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -71.96 162.23 42.47 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.597 2.198 . . . . 0.0 112.091 -177.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 106.77 -13.19 42.07 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.066 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.428 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 97.0 m-85 -109.55 148.19 31.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.858 0.361 . . . . 0.0 110.512 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.1 m -92.25 125.15 36.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.012 177.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -97.27 108.85 21.66 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.445 ' HA ' ' HA ' ' A' ' 122' ' ' ALA . 60.0 t -96.83 114.98 35.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 177.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.5 mt -113.71 128.69 70.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.999 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.3 p -109.61 135.87 47.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.054 0.454 . . . . 0.0 111.153 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.8 m -90.49 109.84 20.97 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.531 175.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 31.2 t -105.78 117.05 50.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.869 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 113' ' ' ARG . 20.2 mtp180 -98.02 91.02 5.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.191 -176.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.536 ' HA ' ' HE2' ' A' ' 19' ' ' TYR . 38.4 t70 70.7 -12.54 0.54 Allowed 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.865 177.383 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.416 ' H ' ' C ' ' A' ' 113' ' ' ARG . . . 151.06 -20.56 0.97 Allowed Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 110.374 -1.09 . . . . 0.0 110.374 -177.181 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -96.91 108.99 46.8 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.342 -0.429 . . . . 0.0 110.787 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -71.26 117.01 4.93 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.655 2.237 . . . . 0.0 111.344 177.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.405 ' OE1' ' HD2' ' A' ' 113' ' ' ARG . 88.5 tt0 -75.37 -64.15 1.13 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.008 0.432 . . . . 0.0 109.963 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -149.94 156.56 41.95 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.344 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.553 ' H ' HD13 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -119.5 139.94 51.29 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 175.391 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 22.5 p -124.72 145.72 49.54 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.87 -177.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.445 ' HA ' ' HA ' ' A' ' 108' ' ' VAL . . . -109.06 148.49 30.73 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.188 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.514 ' HB3' ' HD2' ' A' ' 132' ' ' PHE . 85.6 m95 -136.35 134.9 38.36 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.319 -174.666 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -105.22 126.69 52.37 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.182 174.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.453 HD22 ' HB1' ' A' ' 100' ' ' ALA . 57.1 tp -81.53 133.11 35.34 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.022 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.57 135.97 94.3 Favored Pre-proline 0 N--CA 1.45 -0.448 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 174.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -51.48 -33.59 47.98 Favored 'Trans proline' 0 N--CA 1.474 0.325 0 C-N-CA 123.148 2.565 . . . . 0.0 113.152 -174.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -84.68 6.61 23.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.538 -176.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? 64.05 19.11 11.61 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.496 0.498 . . . . 0.0 110.437 -176.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.4 p -72.59 -49.97 28.66 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.28 -173.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -154.08 179.85 8.54 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.091 0.472 . . . . 0.0 111.055 -175.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.514 ' HD2' ' HB3' ' A' ' 123' ' ' TRP . 11.6 m-85 -108.37 147.29 31.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.611 175.215 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -124.55 140.05 53.3 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 173.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -82.1 144.26 30.91 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 121.475 0.655 . . . . 0.0 112.054 -172.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -124.68 153.98 41.49 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.692 -1.14 . . . . 0.0 108.433 175.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -122.75 179.43 4.63 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 -177.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 49.6 mm -93.5 114.06 29.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.085 0.469 . . . . 0.0 110.061 -178.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.515 HG23 ' HD2' ' A' ' 2' ' ' LYS . 0.2 OUTLIER -125.47 142.5 42.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.33 -179.043 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 57.5 mtp85 -79.56 148.23 69.29 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.2 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.435 ' HG3' ' HB3' ' A' ' 2' ' ' LYS . 4.9 Cg_exo -74.17 94.17 0.9 Allowed 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 122.296 1.997 . . . . 0.0 110.523 169.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 12.0 t70 . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.277 -177.293 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ttt . . . . . 0 N--CA 1.479 1.0 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.534 ' HA ' ' O ' ' A' ' 138' ' ' VAL . 4.5 mptp? -106.26 117.88 35.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.723 0.297 . . . . 0.0 110.918 177.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.8 t -161.03 173.83 14.65 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 174.002 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.0 p -102.37 148.08 34.92 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.621 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.03 -29.09 63.29 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.499 2.799 . . . . 0.0 112.85 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -55.27 -43.95 75.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.864 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.517 ' O ' HG13 ' A' ' 11' ' ' ILE . 49.5 mm -67.91 -42.0 85.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.422 179.061 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.575 HD21 HG12 ' A' ' 137' ' ' ILE . 92.7 mt -57.46 -41.71 81.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.772 178.551 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.681 ' HA ' HH11 ' A' ' 12' ' ' ARG . 15.5 t70 -64.11 -44.43 92.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.099 179.294 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -61.78 -31.17 71.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.88 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 7' ' ' ILE . 75.9 mt -62.46 -46.89 95.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.133 0.492 . . . . 0.0 109.948 175.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.681 HH11 ' HA ' ' A' ' 9' ' ' ASP . 21.3 mtp-105 -64.26 -39.25 93.56 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.03 178.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 9' ' ' ASP . 95.2 t -64.68 -47.2 89.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.57 176.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.591 ' HA ' ' HB3' ' A' ' 17' ' ' ASP . 28.7 m-70 -65.54 -27.31 68.35 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.551 ' HA3' HG21 ' A' ' 112' ' ' VAL . . . -61.15 -44.44 98.14 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.375 -0.917 . . . . 0.0 111.455 173.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.19 -29.81 63.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.226 0.536 . . . . 0.0 110.507 175.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.591 ' HB3' ' HA ' ' A' ' 14' ' ' HIS . 17.4 t70 -58.64 -37.4 75.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.284 176.262 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.29 97.45 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.029 177.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.608 ' OH ' ' HA ' ' A' ' 86' ' ' PRO . 25.3 m-85 -55.73 140.5 67.39 Favored Pre-proline 0 N--CA 1.464 0.235 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.9 -178.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -88.93 -2.21 62.41 Favored 'Cis proline' 0 CA--C 1.533 0.433 0 C-N-CA 123.775 -1.344 . . . . 0.0 113.293 0.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -78.28 173.2 12.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.175 0.512 . . . . 0.0 111.815 -174.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -89.83 129.44 36.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.23 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -163.29 105.24 0.25 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.2 -1.0 . . . . 0.0 113.194 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.2 p -102.22 -177.36 3.38 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 173.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -173.5 175.18 46.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 119.348 -1.406 . . . . 0.0 113.758 176.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.545 ' HB2' ' HE1' ' A' ' 43' ' ' HIS . 29.2 m-85 -120.39 157.4 29.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.3 -0.45 . . . . 0.0 110.463 -178.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 75.0 mt -95.01 131.17 41.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.338 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.412 HD22 ' HB2' ' A' ' 71' ' ' ALA . 88.7 mt -108.62 137.4 46.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.115 178.406 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.452 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . -173.25 -157.74 15.76 Favored Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -178.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.418 HG23 HD23 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -135.65 145.71 47.09 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 117.456 0.628 . . . . 0.0 112.005 178.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.627 HG12 ' H ' ' A' ' 33' ' ' ASP . 58.2 t -92.28 134.22 31.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 172.559 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.458 ' C ' ' H ' ' A' ' 34' ' ' ASP . 39.1 p -70.61 2.9 3.53 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -176.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.627 ' H ' HG12 ' A' ' 31' ' ' VAL . 32.5 t70 75.37 -28.55 0.19 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.925 0.89 . . . . 0.0 110.722 -177.488 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.458 ' H ' ' C ' ' A' ' 32' ' ' THR . 14.6 t70 -77.91 -35.65 50.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.899 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.28 -11.31 0.76 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.28 -0.962 . . . . 0.0 112.539 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -86.7 148.1 25.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.656 0.265 . . . . 0.0 110.302 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -122.32 134.01 54.66 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 173.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.452 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 10.7 ptm180 -115.97 145.48 42.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.399 0.618 . . . . 0.0 110.093 173.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 52.7 t -98.13 120.67 47.75 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.104 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.113 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.98 -30.73 7.39 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.297 -0.411 . . . . 0.0 112.048 -172.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -149.1 145.41 27.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.421 0.629 . . . . 0.0 112.124 -176.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.4 mt -103.64 145.14 30.5 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 173.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.545 ' HE1' ' HB2' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -133.46 135.74 44.7 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.026 -0.67 . . . . 0.0 110.831 179.897 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -93.98 135.14 35.63 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.9 175.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.83 0.348 . . . . 0.0 110.63 170.767 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.0 t70 . . . . . 0 N--CA 1.471 0.601 0 CA-C-O 120.591 0.234 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -58.67 -39.63 81.19 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 177.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 65' ' ' ARG . 40.5 mtp-105 -55.83 -49.15 74.07 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.454 176.462 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.58 -33.96 76.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.593 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.476 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . . . -64.46 -43.94 92.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.193 177.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -68.24 -43.21 78.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.184 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.522 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -61.34 -52.61 63.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.198 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.64 -32.25 73.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.349 . . . . 0.0 110.621 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.412 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -62.56 -52.14 64.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.53 177.116 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -67.48 -31.49 71.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.585 0.231 . . . . 0.0 111.317 -178.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 38.5 mt-10 -61.97 -37.03 83.23 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.345 0.593 . . . . 0.0 111.064 175.073 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -92.19 -10.98 36.74 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.843 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.38 32.82 41.45 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.61 -175.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.418 HD23 HG23 ' A' ' 30' ' ' THR . 81.1 mt -118.29 179.68 4.04 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 123.27 0.628 . . . . 0.0 110.011 -179.101 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -139.74 178.11 7.47 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 174.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.4 t -89.65 101.16 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.812 0.339 . . . . 0.0 110.168 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.0 m -87.44 -15.98 9.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.982 -175.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.559 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -178.05 -169.91 39.55 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 119.868 -1.158 . . . . 0.0 113.416 -179.133 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 t -135.85 156.16 37.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.448 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 41.4 p90 -126.53 140.02 52.77 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.413 175.308 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -129.08 137.46 51.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.002 -178.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.4 p -116.81 126.69 53.45 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 173.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 56.8 m170 -88.97 141.2 29.38 Favored Pre-proline 0 C--N 1.325 -0.489 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.118 178.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.608 ' HA ' ' OH ' ' A' ' 19' ' ' TYR . 60.0 Cg_endo -99.03 -3.18 0.83 Allowed 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 123.405 2.737 . . . . 0.0 113.985 -177.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -130.01 -71.9 0.59 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.166 0.508 . . . . 0.0 111.013 -173.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -90.23 162.67 34.09 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.479 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.477 ' HA ' ' OG ' ' A' ' 111' ' ' SER . 38.8 Cg_exo -63.21 -163.76 0.05 OUTLIER 'Trans proline' 0 CA--C 1.534 0.512 0 C-N-CA 123.179 2.586 . . . . 0.0 114.124 -177.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.47 ' O ' ' HB3' ' A' ' 91' ' ' ARG . . . -67.8 -174.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.495 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.585 ' HG3' ' HD2' ' A' ' 92' ' ' PRO . 7.6 ttp180 66.89 141.26 0.07 OUTLIER Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.691 -172.639 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.585 ' HD2' ' HG3' ' A' ' 91' ' ' ARG . 28.4 Cg_endo -63.97 135.77 49.39 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.587 2.191 . . . . 0.0 113.293 -178.144 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.4 m -80.01 -177.11 5.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.062 173.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.64 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -62.71 -50.44 71.11 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.295 0.479 . . . . 0.0 112.295 -173.589 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.4 m -80.47 -32.25 37.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.046 0.451 . . . . 0.0 110.444 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -55.62 -41.51 73.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.873 173.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.639 ' HG ' ' HE1' ' A' ' 132' ' ' PHE . 8.4 tt -69.7 -44.03 71.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.528 176.346 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.64 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 53.3 mt-10 -59.1 -37.0 76.12 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.18 -175.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -79.35 4.96 13.73 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -176.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.583 ' HB1' HD22 ' A' ' 125' ' ' LEU . . . -77.76 76.18 4.29 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.414 0.626 . . . . 0.0 109.605 173.129 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 15.3 t -100.68 -5.23 26.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.91 -175.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -120.11 85.76 36.1 Favored Pre-proline 0 C--N 1.316 -0.858 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.024 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.577 ' HA ' ' OH ' ' A' ' 107' ' ' TYR . 6.0 Cg_exo -78.42 172.04 15.92 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.372 2.714 . . . . 0.0 112.577 -178.35 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 100.34 10.39 44.93 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.901 -0.666 . . . . 0.0 113.019 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.559 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 84.3 m-85 -122.26 162.95 20.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.711 0.291 . . . . 0.0 111.044 -178.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 37.6 m -92.15 116.97 29.4 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 170.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.577 ' OH ' ' HA ' ' A' ' 103' ' ' PRO . 30.9 m-85 -99.3 108.51 21.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.696 0.284 . . . . 0.0 110.565 -174.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 82' ' ' TYR . 58.2 t -97.1 115.31 36.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.487 HD12 ' HD3' ' A' ' 92' ' ' PRO . 65.5 mt -110.08 118.25 56.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.685 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.3 p -108.07 138.55 34.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.532 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.518 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 22.4 t -93.14 109.71 21.2 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.088 176.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.551 HG21 ' HA3' ' A' ' 15' ' ' GLY . 79.1 t -126.9 116.31 44.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.181 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -114.49 103.51 11.11 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.023 0.44 . . . . 0.0 110.685 -171.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 56.1 t0 49.53 57.87 6.03 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.857 -178.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 84.47 -6.45 76.92 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.611 -0.722 . . . . 0.0 113.461 175.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -106.48 109.06 62.87 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 117.12 0.46 . . . . 0.0 111.58 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.454 ' HB3' ' HB3' ' A' ' 12' ' ' ARG . 17.3 Cg_exo -68.53 120.62 7.55 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.866 2.377 . . . . 0.0 111.437 175.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.518 ' HB3' ' HB3' ' A' ' 111' ' ' SER . 44.5 tt0 -94.34 -69.5 0.75 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.245 -174.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -150.54 155.37 39.32 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.939 0.4 . . . . 0.0 111.933 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 28.4 mt -105.29 141.41 36.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.05 175.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 25.7 p -140.82 130.51 24.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.142 173.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -110.19 135.04 51.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.886 0.374 . . . . 0.0 110.413 178.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.425 ' CZ3' ' HB2' ' A' ' 134' ' ' ARG . 62.5 m95 -133.49 145.34 50.1 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.424 0.631 . . . . 0.0 112.062 -171.243 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -112.56 127.96 56.22 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.033 169.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.583 HD22 ' HB1' ' A' ' 100' ' ' ALA . 54.7 tp -81.65 140.25 34.5 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.757 0.313 . . . . 0.0 110.624 -177.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.527 ' O ' ' HG ' ' A' ' 125' ' ' LEU . . . -65.5 141.48 97.98 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 171.13 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.24 -24.81 43.66 Favored 'Trans proline' 0 N--CA 1.473 0.298 0 C-N-CA 122.746 2.298 . . . . 0.0 112.819 -176.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -106.33 12.72 29.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.086 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.442 ' HA ' HD11 ' A' ' 125' ' ' LEU . 38.3 ptt180 44.41 44.52 6.97 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.443 1.097 . . . . 0.0 113.15 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 62.1 m -81.48 -25.44 36.03 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.377 172.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -171.55 177.11 3.55 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.173 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.639 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 51.6 m-85 -110.97 153.39 25.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.248 172.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -123.34 132.77 54.1 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 175.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.425 ' HB2' ' CZ3' ' A' ' 123' ' ' TRP . 59.9 ttt-85 -79.66 142.35 35.63 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.837 -174.587 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -133.93 150.46 51.31 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 175.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -103.7 162.59 12.95 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -176.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.575 HG12 HD21 ' A' ' 8' ' ' LEU . 3.1 mp -85.77 119.03 33.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 121.001 0.429 . . . . 0.0 110.313 -177.392 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -109.16 145.42 15.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.401 176.923 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.444 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 27.8 mtm180 -74.58 144.54 80.79 Favored Pre-proline 0 C--N 1.318 -0.766 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.365 -176.64 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 139' ' ' ARG . 33.6 Cg_exo -61.31 137.97 73.9 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.546 2.164 . . . . 0.0 111.361 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--N 1.322 -0.604 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.857 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.604 ' HA ' ' O ' ' A' ' 36' ' ' ASP . 20.4 ttt . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 120.812 0.339 . . . . 0.0 110.742 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.468 ' HD2' ' HB ' ' A' ' 138' ' ' VAL . 0.3 OUTLIER -115.69 144.56 43.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.394 177.731 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.563 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 11.2 t -157.02 149.91 23.66 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.552 HG22 ' HG3' ' A' ' 140' ' ' PRO . 40.9 p -81.44 148.69 63.32 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-O 120.718 0.294 . . . . 0.0 111.2 -175.693 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.14 -27.43 84.87 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.543 2.162 . . . . 0.0 110.564 175.328 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.467 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 12.5 t0 -56.26 -49.77 73.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.969 174.374 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.561 ' O ' HG13 ' A' ' 11' ' ' ILE . 29.8 mm -68.06 -45.23 83.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.721 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 89.8 mt -57.43 -42.47 82.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.791 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -69.28 -38.88 78.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.156 0.503 . . . . 0.0 110.306 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 51.2 mt-30 -61.68 -38.6 88.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.127 175.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 7' ' ' ILE . 74.8 mt -63.82 -49.41 82.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 120.67 0.271 . . . . 0.0 111.176 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 12' ' ' ARG . 1.6 ptm180 -63.75 -37.63 88.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.97 -178.568 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.4 t -69.51 -40.41 79.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.909 0.385 . . . . 0.0 110.208 175.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -58.24 -35.55 71.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.49 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.24 -49.16 80.8 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.076 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.03 -26.69 62.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.98 0.419 . . . . 0.0 111.119 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -74.93 -38.88 61.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.219 -178.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.93 -34.3 26.59 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.746 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.551 ' HA ' ' N ' ' A' ' 21' ' ' GLU . 6.7 m-85 -69.47 162.35 67.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.073 -176.229 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.458 ' HA ' ' HB3' ' A' ' 19' ' ' TYR . 15.2 Cg_exo -68.56 -4.73 6.83 Favored 'Cis proline' 0 C--N 1.353 0.8 0 N-CA-C 114.601 0.962 . . . . 0.0 114.601 7.121 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.551 ' N ' ' HA ' ' A' ' 19' ' ' TYR . 28.8 mt-10 -73.96 135.75 43.22 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 176.712 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -75.06 89.28 2.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.01 0.433 . . . . 0.0 110.059 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.61 110.57 3.16 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.988 177.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.4 p -99.43 -179.84 4.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.689 0.281 . . . . 0.0 110.577 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 170.63 -157.98 29.42 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.171 -1.014 . . . . 0.0 112.837 177.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -134.84 165.18 25.89 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -176.072 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.3 mt -114.85 134.21 55.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.393 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.551 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 74.1 mt -116.16 144.52 44.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.887 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 175.02 -153.12 14.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 119.781 -1.2 . . . . 0.0 112.948 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.31 146.42 44.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.198 0.523 . . . . 0.0 111.397 -177.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.2 t -96.32 110.29 24.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.339 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.09 137.75 57.27 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.956 177.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.54 -22.63 65.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.029 0.442 . . . . 0.0 111.12 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -74.16 -18.56 60.76 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.175 178.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.76 25.25 27.99 Favored Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -172.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.604 ' O ' ' HA ' ' A' ' 1' ' ' MET . 12.7 t70 -79.82 -48.36 13.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.209 -0.495 . . . . 0.0 111.322 -176.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.44 ' OD1' ' HB ' ' A' ' 79' ' ' VAL . 5.4 t30 78.08 112.89 0.07 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.881 0.872 . . . . 0.0 111.273 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -115.94 109.65 17.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.819 -178.025 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.0 t -86.92 123.79 40.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.69 -7.2 6.8 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -174.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.551 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -144.38 143.3 30.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.974 0.416 . . . . 0.0 111.232 -178.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.6 mt -101.6 154.82 18.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.715 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -134.47 119.46 18.55 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.058 0.456 . . . . 0.0 110.468 174.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -83.93 138.33 33.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.551 174.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 CA-C-O 121.142 0.496 . . . . 0.0 110.84 178.591 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.2 t0 . . . . . 0 C--O 1.237 0.404 0 CA-C-O 121.543 0.687 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -71.12 -40.44 71.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.514 173.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -57.15 -48.6 78.29 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -172.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.44 -27.5 64.3 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.629 -178.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.75 -44.28 70.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.285 175.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.581 ' O ' ' HG2' ' A' ' 72' ' ' GLN . 14.3 t70 -64.71 -47.51 78.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.54 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.493 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -58.52 -53.43 58.39 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.469 -178.048 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.37 -32.66 74.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 110.843 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.51 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -63.95 -49.02 74.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.361 175.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.581 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 74.8 mm-40 -61.02 -39.58 90.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 110.661 178.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 50.9 mt-10 -57.49 -43.89 84.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.277 177.61 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -89.14 -4.29 58.34 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.329 -175.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.43 31.7 58.7 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.349 -0.929 . . . . 0.0 111.842 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.8 mt -125.37 -175.11 3.23 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.433 ' HA ' ' HB1' ' A' ' 71' ' ' ALA . 6.5 p-10 -140.41 175.29 9.72 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 171.23 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.412 ' HA ' HD23 ' A' ' 28' ' ' LEU . 23.9 t -78.89 100.0 3.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.824 -178.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.44 ' HB ' ' OD1' ' A' ' 37' ' ' ASN . 31.3 m -95.07 -3.96 10.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.676 -174.103 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -171.05 175.48 44.7 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 119.902 -1.142 . . . . 0.0 113.293 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.5 t -137.63 156.25 32.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.415 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 40.5 p90 -133.93 141.98 47.54 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.767 177.654 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -118.28 139.37 51.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.205 178.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.5 m -106.15 125.93 51.59 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 174.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.496 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 37.7 m170 -125.31 142.09 40.59 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-O 120.825 0.345 . . . . 0.0 110.659 -179.256 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 9.3 Cg_endo -91.74 129.6 1.14 Allowed 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.445 2.763 . . . . 0.0 113.004 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.433 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 23.2 t70 53.73 73.97 0.35 Allowed 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.851 173.139 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -154.78 163.26 24.98 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.909 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -70.75 6.9 1.44 Allowed 'Trans proline' 0 N--CA 1.475 0.414 0 C-N-CA 123.282 2.655 . . . . 0.0 113.087 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 67.26 78.35 0.25 Allowed 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 121.808 0.813 . . . . 0.0 110.389 -175.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -163.31 162.39 17.6 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 114.843 -1.071 . . . . 0.0 108.632 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.92 149.06 77.49 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.567 2.178 . . . . 0.0 112.598 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.8 m -94.45 162.91 13.63 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 173.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.653 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -55.65 -47.97 75.77 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -174.607 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 98.5 m -80.9 -31.42 35.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.656 0.265 . . . . 0.0 111.143 -178.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -60.34 -35.09 74.85 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 174.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.578 ' HG ' ' HE1' ' A' ' 132' ' ' PHE . 8.8 tt -69.4 -45.15 69.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.221 173.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.653 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 47.1 mt-10 -58.01 -40.12 79.98 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.642 -178.61 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -72.67 -13.82 61.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.87 0.367 . . . . 0.0 111.679 -176.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.23 86.96 4.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.444 0.64 . . . . 0.0 109.764 174.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.6 m -113.92 7.54 16.96 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.395 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -124.63 86.54 55.52 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.354 -177.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.63 160.55 47.57 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.874 2.383 . . . . 0.0 112.183 178.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 112.9 -12.86 24.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.625 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -107.29 144.49 34.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.444 -0.378 . . . . 0.0 110.264 178.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.4 HG21 ' SD ' ' A' ' 1' ' ' MET . 14.6 m -91.41 129.34 37.4 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 174.478 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.477 ' CD2' ' HE2' ' A' ' 132' ' ' PHE . 98.1 m-85 -104.38 117.36 34.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.937 0.399 . . . . 0.0 111.113 -175.018 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 82' ' ' TYR . 85.2 t -106.04 126.11 61.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.91 176.438 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.4 mt -116.2 126.09 73.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 120.998 0.428 . . . . 0.0 110.422 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.461 ' HB ' HD23 ' A' ' 120' ' ' LEU . 6.9 p -111.76 139.09 37.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.581 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.8 t -100.68 109.65 21.72 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.592 177.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 44.3 t -119.29 116.76 51.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 177.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.433 ' HG2' ' HA ' ' A' ' 87' ' ' ASP . 43.2 mtt180 -104.23 80.9 1.76 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.793 -176.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.8 t70 50.71 79.66 0.09 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 114.814 -1.084 . . . . 0.0 111.965 -176.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.529 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 80.61 -15.58 18.69 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.87 -0.681 . . . . 0.0 113.021 177.148 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -101.04 103.93 28.77 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.712 0.256 . . . . 0.0 111.646 -178.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.529 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 3.3 Cg_exo -77.04 111.59 3.25 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 123.174 2.583 . . . . 0.0 111.05 176.07 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -83.16 -67.94 0.75 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.365 -174.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -149.3 158.32 44.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.138 0.494 . . . . 0.0 111.669 -176.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.461 HD23 ' HB ' ' A' ' 110' ' ' VAL . 56.4 mt -112.72 122.31 47.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.745 176.101 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 40.7 p -119.99 131.48 55.17 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.639 0.257 . . . . 0.0 110.827 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.8 133.32 53.27 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.017 0.437 . . . . 0.0 109.829 178.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -126.78 138.75 53.41 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.015 -173.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -105.14 127.76 53.05 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.485 175.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 61.8 tp -83.77 137.72 33.6 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.85 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.58 135.44 63.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.93 175.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -52.87 -36.05 72.85 Favored 'Trans proline' 0 N--CA 1.473 0.312 0 C-N-CA 123.299 2.666 . . . . 0.0 113.361 -174.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -94.65 8.02 43.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.442 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? 63.2 97.12 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.384 0.611 . . . . 0.0 110.602 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 23.0 m -150.09 -48.63 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.424 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -153.62 172.28 17.47 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.053 -177.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.578 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 65.7 m-85 -107.77 147.93 30.17 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.752 177.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -124.87 145.15 49.95 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.127 0.489 . . . . 0.0 110.012 176.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -91.86 139.39 30.71 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.423 -178.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -133.04 163.05 30.1 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 175.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -87.64 147.81 25.1 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 3.4 mp -84.21 125.11 40.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.468 ' HB ' ' HD2' ' A' ' 2' ' ' LYS . 1.0 OUTLIER -109.15 154.83 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.107 0.48 . . . . 0.0 110.421 -177.299 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -80.59 152.8 73.05 Favored Pre-proline 0 C--N 1.317 -0.841 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.67 -178.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.563 ' HD3' ' O ' ' A' ' 3' ' ' THR . 16.7 Cg_endo -56.94 144.73 88.04 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.947 2.432 . . . . 0.0 112.182 -176.308 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 C--O 1.234 0.255 0 O-C-N 123.918 0.761 . . . . 0.0 111.071 -178.002 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.547 ' HA ' ' OD1' ' A' ' 36' ' ' ASP . 1.2 tmt? . . . . . 0 N--CA 1.477 0.922 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 138' ' ' VAL . 10.8 mptt -127.15 119.27 26.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.036 0.446 . . . . 0.0 111.834 -178.047 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.464 HG22 HG23 ' A' ' 137' ' ' ILE . 5.2 t -159.09 173.8 15.88 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.144 174.513 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 26.1 p -97.68 151.97 37.89 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-O 120.634 0.254 . . . . 0.0 110.692 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.64 -29.13 69.13 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.024 2.483 . . . . 0.0 111.65 176.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.34 -45.5 88.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.69 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.495 ' O ' HG13 ' A' ' 11' ' ' ILE . 46.3 mm -64.47 -43.99 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.285 177.118 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.544 HD11 HG21 ' A' ' 137' ' ' ILE . 97.4 mt -56.89 -41.94 78.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.893 179.437 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.547 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 36.4 t70 -63.73 -45.23 90.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.452 177.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -56.84 -36.47 70.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.091 176.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 7' ' ' ILE . 75.6 mt -65.25 -50.0 75.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.489 0.185 . . . . 0.0 111.323 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.547 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -65.65 -36.97 85.22 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.797 -0.183 . . . . 0.0 111.307 -178.438 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.4 t -69.28 -44.28 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.971 0.415 . . . . 0.0 110.397 176.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.861 ' HE1' ' HB2' ' A' ' 44' ' ' ARG . 14.8 t-80 -62.73 -31.87 72.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.302 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.26 -38.03 91.38 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.285 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.91 -34.42 66.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.957 0.408 . . . . 0.0 110.096 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -63.68 -38.64 91.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.083 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.85 95.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.343 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -67.18 159.15 78.7 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.047 -178.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.86 -3.28 16.14 Favored 'Cis proline' 0 C--N 1.347 0.458 0 C-N-CA 124.104 -1.207 . . . . 0.0 113.733 4.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -75.26 -174.26 2.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.121 0.486 . . . . 0.0 110.731 177.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -87.4 144.2 26.87 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.671 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.486 ' HA2' ' HD2' ' A' ' 44' ' ' ARG . . . -102.79 -99.07 2.47 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.303 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.8 t 63.8 -176.81 0.16 Allowed 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 121.199 0.524 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 145.1 -176.03 24.36 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.061 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -109.68 150.66 27.94 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.851 0.358 . . . . 0.0 110.54 -176.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.0 mt -97.96 119.18 36.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.506 177.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.511 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 85.9 mt -103.77 132.68 49.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.945 0.402 . . . . 0.0 110.379 -177.123 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.516 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . 176.94 -147.68 8.51 Favored Glycine 0 N--CA 1.441 -0.991 0 C-N-CA 120.913 -0.66 . . . . 0.0 111.723 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.1 p -136.39 159.2 42.49 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.693 0.282 . . . . 0.0 111.142 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.3 t -89.31 124.65 42.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 33' ' ' ASP . 2.1 m -135.15 172.66 12.69 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.867 -170.537 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.427 ' H ' HG22 ' A' ' 32' ' ' THR . 31.9 t70 74.27 -86.81 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.579 0.752 . . . . 0.0 111.966 171.418 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -163.77 54.43 0.16 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 122.246 1.022 . . . . 0.0 108.892 178.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.73 33.11 7.23 Favored Glycine 0 C--N 1.311 -0.847 0 CA-C-N 114.055 -1.43 . . . . 0.0 111.42 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.547 ' OD1' ' HA ' ' A' ' 1' ' ' MET . 7.2 t0 -111.9 163.85 13.76 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 176.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -114.95 121.5 43.36 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 121.408 0.623 . . . . 0.0 110.952 -172.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.516 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 57.2 ttt180 -101.87 106.82 17.83 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.132 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 62.0 t -90.56 119.11 37.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.558 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -113.59 -21.84 10.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.838 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.511 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -139.5 154.88 47.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.907 0.384 . . . . 0.0 111.513 -176.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 74.9 mt -122.81 147.43 46.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.387 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -146.59 122.42 10.61 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.861 ' HB2' ' HE1' ' A' ' 14' ' ' HIS . 9.5 ttp180 -84.92 129.71 34.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.177 0.513 . . . . 0.0 110.508 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.89 177.896 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 . . . . . 0 N--CA 1.466 0.334 0 CA-C-O 120.593 0.235 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -62.92 -45.63 91.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.438 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.2 mtp-105 -64.93 -43.37 92.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.775 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.53 -35.71 81.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.888 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.16 -40.2 78.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.079 176.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.469 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 25.2 t70 -66.78 -44.03 82.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.741 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.484 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -60.63 -51.25 70.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.795 179.572 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.29 -32.8 73.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.899 0.381 . . . . 0.0 110.546 177.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.511 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -63.52 -48.83 75.93 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.248 175.71 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 68' ' ' ASP . 65.1 mt-30 -57.99 -41.39 82.92 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.888 0.375 . . . . 0.0 110.47 177.375 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 53.2 mt-10 -57.31 -39.65 76.24 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.116 177.508 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -85.72 -18.5 32.9 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.834 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.07 28.58 25.26 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.409 -176.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 72.2 mt -124.6 178.12 5.6 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 122.737 0.415 . . . . 0.0 110.003 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -139.62 -179.33 5.85 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 174.318 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.9 t -85.15 109.25 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.944 0.402 . . . . 0.0 110.304 -179.205 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.3 m -102.85 -11.01 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.634 -177.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -172.54 -176.53 41.3 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.041 -1.075 . . . . 0.0 113.035 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.484 ' O ' ' HA ' ' A' ' 107' ' ' TYR . 4.8 t -137.96 157.62 32.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -137.27 140.78 41.83 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.995 176.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -130.17 147.42 51.9 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -176.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.4 p -104.69 128.33 52.72 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.59 0.233 . . . . 0.0 110.464 -176.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 23.8 m170 -108.84 143.75 28.2 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.168 179.082 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 3.5 Cg_exo -81.62 107.66 1.82 Allowed 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 123.052 2.501 . . . . 0.0 111.257 174.604 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.4 t0 64.65 -158.53 0.3 Allowed 'General case' 0 C--O 1.235 0.318 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 73.5 m80 68.65 164.14 0.13 Allowed Pre-proline 0 C--N 1.323 -0.569 0 C-N-CA 123.397 0.679 . . . . 0.0 112.232 175.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -68.54 5.78 1.16 Allowed 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 123.768 2.978 . . . . 0.0 114.414 -174.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.628 ' HB2' ' HB2' ' A' ' 111' ' ' SER . . . 72.75 12.72 5.27 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 175.716 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 91' ' ' ARG . 43.3 mtt180 -80.39 154.5 74.24 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 175.187 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -57.2 143.77 92.46 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 123.085 2.523 . . . . 0.0 113.464 -177.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.3 m -98.86 173.64 6.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.341 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.601 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -66.05 -50.36 64.41 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -172.384 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.0 m -79.45 -32.92 42.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.318 0.58 . . . . 0.0 109.504 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -56.94 -40.96 77.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.182 177.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.412 ' HA ' ' HE2' ' A' ' 132' ' ' PHE . 6.7 tt -70.36 -43.53 69.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.473 175.637 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.601 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 69.3 mt-10 -61.47 -26.27 67.79 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -176.196 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -77.9 -9.17 58.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.678 0.275 . . . . 0.0 111.686 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -91.99 113.79 26.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.844 0.354 . . . . 0.0 110.442 179.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.471 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 1.7 m -128.04 13.4 6.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.023 0.439 . . . . 0.0 111.514 -176.055 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -115.39 87.19 16.12 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 120.668 0.271 . . . . 0.0 111.524 -178.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.471 ' HD3' ' O ' ' A' ' 101' ' ' THR . 16.4 Cg_exo -68.13 115.31 3.76 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.897 2.398 . . . . 0.0 112.069 179.094 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 128.87 -24.38 4.84 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.478 -178.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -79.09 148.86 32.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.589 -0.305 . . . . 0.0 110.209 176.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 62.8 m -92.6 122.99 35.56 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 175.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.484 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 58.7 m-85 -103.34 110.66 22.74 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.715 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 84.7 t -95.97 119.87 44.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.213 0.53 . . . . 0.0 110.017 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.1 mt -109.94 118.18 56.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.668 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.669 HG23 ' HG ' ' A' ' 120' ' ' LEU . 7.5 p -105.97 133.22 50.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.491 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.628 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 33.0 t -88.3 109.89 20.32 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.848 178.505 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.484 HG12 ' H ' ' A' ' 115' ' ' GLY . 27.0 t -114.82 115.14 48.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 176.695 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -87.19 79.07 8.7 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.408 -175.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.4 t70 60.15 25.7 15.05 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.039 176.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.484 ' H ' HG12 ' A' ' 112' ' ' VAL . . . 131.66 -23.77 4.19 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.626 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -98.11 109.96 54.02 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 122.837 -0.214 . . . . 0.0 111.356 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -65.72 118.48 5.52 Favored 'Trans proline' 0 N--CA 1.463 -0.265 0 C-N-CA 122.452 2.101 . . . . 0.0 111.06 176.019 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -100.29 -70.39 0.74 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.116 -175.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -134.94 150.49 50.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.961 0.41 . . . . 0.0 111.123 -177.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.669 ' HG ' HG23 ' A' ' 110' ' ' VAL . 5.9 mp -117.32 136.73 52.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.026 179.02 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 35.1 p -132.36 145.55 51.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.555 0.217 . . . . 0.0 110.49 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -119.24 134.64 55.1 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.0 0.429 . . . . 0.0 110.168 177.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 70.5 m95 -129.3 151.47 49.91 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.982 -174.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -115.85 133.55 55.91 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.354 174.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 54.1 tp -80.13 133.72 36.1 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.4 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . . . -54.98 140.59 61.23 Favored Pre-proline 0 C--N 1.33 -0.255 0 O-C-N 123.562 0.539 . . . . 0.0 110.978 -179.498 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 126' ' ' ALA . 66.4 Cg_exo -51.6 -28.25 28.38 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.436 2.757 . . . . 0.0 113.197 -176.265 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -122.3 51.65 1.36 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.846 0.355 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 44.14 38.47 2.35 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.315 1.046 . . . . 0.0 113.403 171.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 6.1 m -78.88 -60.27 2.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.973 0.416 . . . . 0.0 110.831 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -167.46 -165.32 0.66 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.492 -175.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.412 ' HE2' ' HA ' ' A' ' 97' ' ' LEU . 34.0 m-85 -104.44 144.84 31.12 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.126 0.489 . . . . 0.0 109.976 175.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -123.73 146.71 48.08 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.319 176.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' A' ' 134' ' ' ARG . 9.0 tpt180 -67.87 135.05 51.91 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.756 -172.151 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -117.54 175.09 5.8 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.939 -1.028 . . . . 0.0 108.879 174.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -146.2 146.25 30.74 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.662 -178.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.544 HG21 HD11 ' A' ' 8' ' ' LEU . 3.7 mp -91.55 114.94 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.249 -176.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 0.6 OUTLIER -116.83 155.33 18.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 177.133 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.404 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 44.0 mtp180 -72.51 137.77 80.74 Favored Pre-proline 0 C--N 1.318 -0.783 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 177.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 139' ' ' ARG . 15.1 Cg_exo -67.99 116.32 4.25 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.609 2.206 . . . . 0.0 111.284 177.313 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.325 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 ttm . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.521 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -100.95 122.5 43.6 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 173.278 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.472 HG21 HD21 ' A' ' 8' ' ' LEU . 15.1 t -156.98 174.64 15.22 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.978 -171.546 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 46.5 p -114.19 148.65 40.53 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.498 -176.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -55.35 -34.58 89.27 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 123.0 2.467 . . . . 0.0 112.276 178.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.504 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 34.1 t70 -59.32 -47.4 85.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.86 178.291 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.555 ' O ' HG13 ' A' ' 11' ' ' ILE . 46.3 mm -68.35 -42.72 84.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.374 178.277 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.472 HD21 HG21 ' A' ' 3' ' ' THR . 86.5 mt -54.75 -45.6 74.21 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.574 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -67.29 -39.61 86.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.124 0.487 . . . . 0.0 110.61 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.504 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 53.4 mt-30 -63.33 -33.55 75.76 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.145 178.436 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 7' ' ' ILE . 74.7 mt -61.88 -40.93 88.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 175.334 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 67.6 mtt180 -58.56 -49.43 77.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.243 0.544 . . . . 0.0 110.174 176.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.33 -46.9 91.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.356 -178.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -65.19 -27.74 68.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.813 -177.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.95 -47.36 91.67 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.69 175.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.79 -30.56 62.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.068 0.461 . . . . 0.0 110.728 176.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -59.24 -36.27 75.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.402 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.96 -15.4 57.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.379 -178.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.445 ' OH ' ' HB3' ' A' ' 86' ' ' PRO . 2.0 m-85 -67.07 164.49 35.14 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.105 -178.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -77.44 -2.99 28.99 Favored 'Cis proline' 0 C--N 1.351 0.677 0 C-N-CA 124.589 -1.005 . . . . 0.0 113.775 2.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -81.24 169.21 17.61 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.801 -178.151 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -74.68 122.85 23.85 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.101 0.477 . . . . 0.0 110.305 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.83 89.36 0.8 Allowed Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.603 -177.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.1 p -95.82 151.98 18.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.883 0.373 . . . . 0.0 110.005 174.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -171.92 -177.54 41.59 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.184 -1.007 . . . . 0.0 112.734 -178.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -116.68 149.1 40.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.626 0.251 . . . . 0.0 110.76 -175.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.5 mt -105.27 125.33 50.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.155 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.547 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 61.1 mt -110.02 144.64 38.28 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -178.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.497 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . -173.91 -159.8 21.03 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.087 -1.054 . . . . 0.0 112.684 179.34 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.1 p -121.24 159.93 24.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.865 0.364 . . . . 0.0 111.0 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.9 t -96.01 109.83 23.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.984 0.421 . . . . 0.0 110.145 176.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.408 ' C ' ' H ' ' A' ' 34' ' ' ASP . 17.8 p -97.6 149.96 21.66 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.853 177.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.5 t70 70.35 -3.45 1.85 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.335 0.588 . . . . 0.0 110.325 178.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 32' ' ' THR . 24.0 t70 68.1 20.15 9.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.92 -1.037 . . . . 0.0 109.833 -176.141 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.0 10.27 0.12 Allowed Glycine 0 CA--C 1.523 0.576 0 C-N-CA 120.654 -0.784 . . . . 0.0 113.791 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -123.9 159.82 28.84 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 117.466 0.633 . . . . 0.0 110.97 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.455 ' HB2' ' HB ' ' A' ' 79' ' ' VAL . 7.7 p30 -105.49 123.12 47.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.401 177.626 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.521 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 57.3 ttt180 -116.88 109.28 16.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.26 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.8 t -76.7 129.78 36.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.716 -0.22 . . . . 0.0 110.813 -178.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -130.77 -27.67 2.08 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -177.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.547 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -137.67 148.03 45.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.933 0.397 . . . . 0.0 111.406 -176.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.8 mt -113.67 145.41 41.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.302 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -137.88 121.13 16.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.735 0.303 . . . . 0.0 110.747 176.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -84.88 138.79 32.32 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 174.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 111.585 -176.934 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.2 t70 . . . . . 0 C--O 1.235 0.337 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -53.25 -47.19 69.28 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 121.246 -0.182 . . . . 0.0 110.783 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -61.1 -40.7 94.71 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 123.075 0.234 . . . . 0.0 110.834 -175.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.83 -47.51 74.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.21 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.35 -37.62 88.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.238 0.542 . . . . 0.0 110.368 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.533 ' O ' ' HG2' ' A' ' 72' ' ' GLN . 17.7 t70 -65.65 -40.79 92.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.041 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.03 84.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.097 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.25 -32.93 74.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.056 0.455 . . . . 0.0 110.194 176.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.477 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -61.91 -48.89 78.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.84 173.405 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 29.3 mm-40 -57.35 -41.57 80.33 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.404 178.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -54.7 -42.39 71.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.191 177.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -88.48 6.94 35.36 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.619 -177.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.1 23.53 77.83 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.211 179.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 43.3 mt -117.77 172.09 7.61 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -178.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -139.09 168.58 19.52 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 172.02 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.3 t -78.2 108.75 12.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.883 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.455 ' HB ' ' HB2' ' A' ' 37' ' ' ASN . 27.1 m -91.1 -12.29 9.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.288 -176.228 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 173.94 -176.31 46.43 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.068 -1.063 . . . . 0.0 113.326 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.1 t -134.34 158.11 41.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 -179.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -132.96 151.36 52.07 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.244 0.545 . . . . 0.0 111.39 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -124.41 153.67 41.56 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.171 -178.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.1 m -103.51 130.71 50.95 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 173.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.626 ' HB3' ' O ' ' A' ' 88' ' ' HIS . 2.1 m170 -117.39 85.86 20.94 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -173.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.445 ' HB3' ' OH ' ' A' ' 19' ' ' TYR . 94.2 Cg_endo -93.43 -5.81 2.76 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 122.737 2.291 . . . . 0.0 111.579 169.44 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -90.66 -42.03 10.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.687 -1.142 . . . . 0.0 110.581 -176.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.626 ' O ' ' HB3' ' A' ' 85' ' ' HIS . 20.3 m80 -147.26 165.31 19.36 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.74 -166.36 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.998 2.466 . . . . 0.0 114.005 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.73 11.76 2.43 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -168.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 91' ' ' ARG . 39.0 mtm180 -101.63 147.72 34.23 Favored Pre-proline 0 C--N 1.32 -0.711 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.154 174.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -62.2 131.7 35.62 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 123.032 2.488 . . . . 0.0 112.687 -177.053 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.9 m -96.02 -175.05 3.28 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.433 177.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.47 -40.09 85.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.63 0.252 . . . . 0.0 110.907 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.7 p -64.98 -40.45 94.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.492 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -63.29 -39.14 93.76 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.092 0.473 . . . . 0.0 109.962 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -45.87 83.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.536 176.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -70.88 -26.49 63.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.028 -0.987 . . . . 0.0 112.386 -176.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -95.65 20.74 9.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.216 0.532 . . . . 0.0 110.789 176.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -106.45 108.79 20.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.675 177.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.629 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 5.8 t -135.54 3.08 3.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.561 0.696 . . . . 0.0 110.723 -178.026 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.619 ' HB3' ' CD1' ' A' ' 105' ' ' PHE . 93.7 m-85 -107.57 88.64 4.36 Favored Pre-proline 0 C--N 1.315 -0.918 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.579 -178.587 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.629 ' HD3' ' O ' ' A' ' 101' ' ' THR . 5.8 Cg_exo -76.98 64.37 7.72 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.011 2.474 . . . . 0.0 112.123 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 171.46 27.62 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.89 178.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.619 ' CD1' ' HB3' ' A' ' 102' ' ' PHE . 35.9 m-85 -132.38 154.06 50.16 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -177.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.6 m -92.69 116.97 29.49 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.858 0.361 . . . . 0.0 110.358 177.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -93.13 108.27 19.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.792 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 89.1 t -96.17 125.73 48.95 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 121.303 0.573 . . . . 0.0 110.506 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 76.7 mt -121.08 117.91 54.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.625 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.16 128.58 72.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 121.59 0.709 . . . . 0.0 110.915 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.4 t -82.22 106.44 14.12 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.597 175.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 57.4 t -114.89 117.04 54.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.038 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -104.16 90.77 3.68 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.397 0.618 . . . . 0.0 110.88 -177.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 19.5 t70 56.53 45.65 21.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.312 -1.313 . . . . 0.0 111.215 176.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 101.74 -13.65 57.8 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.422 177.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -92.83 115.59 65.13 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 120.434 0.159 . . . . 0.0 111.254 -179.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_exo -71.41 104.21 1.53 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.879 2.386 . . . . 0.0 110.952 175.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -93.66 -68.92 0.77 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.435 -173.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.27 122.88 25.87 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -177.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.0 tt -108.17 123.08 48.2 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.3 m -140.13 155.9 46.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.938 0.399 . . . . 0.0 110.089 -179.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -124.96 146.91 49.15 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 76.7 m95 -132.79 139.4 47.51 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.794 -175.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.59 128.72 52.67 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.687 176.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 63.4 tp -83.97 134.65 34.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.896 0.379 . . . . 0.0 110.356 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . . . -68.46 148.09 98.14 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.423 176.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 126' ' ' ALA . 32.1 Cg_exo -59.67 -26.38 81.95 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.912 2.408 . . . . 0.0 112.718 -178.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -86.24 -11.3 52.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.33 178.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 65.58 21.39 11.72 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.585 -173.244 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 7.7 p -68.11 -37.39 81.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.433 -178.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -162.67 175.44 11.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.145 0.498 . . . . 0.0 110.668 -178.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -106.55 153.96 21.57 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.385 174.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -124.1 138.53 54.42 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 176.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 134' ' ' ARG . 4.3 ttp180 -68.66 126.42 29.65 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.334 0.587 . . . . 0.0 110.462 178.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.08 166.07 14.69 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.869 -178.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -118.38 139.91 50.65 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.944 -177.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 49.5 mm -96.63 113.46 31.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.964 0.411 . . . . 0.0 110.26 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.483 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 3.4 m -133.74 154.16 37.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.67 -179.324 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -83.09 144.33 47.13 Favored Pre-proline 0 N--CA 1.448 -0.555 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -69.38 121.77 8.55 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 121.671 1.581 . . . . 0.0 110.128 169.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.2 t70 . . . . . 0 N--CA 1.467 0.399 0 O-C-N 123.534 0.521 . . . . 0.0 110.738 -175.32 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 138' ' ' VAL . 1.1 mptm? -113.99 119.04 35.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.056 0.455 . . . . 0.0 110.546 -179.36 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.5 t -159.29 174.1 15.3 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.293 -177.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.6 p -101.79 159.17 30.21 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.885 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.484 ' HA ' HD12 ' A' ' 8' ' ' LEU . 9.6 Cg_endo -53.87 -29.36 52.86 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.269 2.646 . . . . 0.0 111.77 176.304 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.48 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 1.8 m-20 -55.16 -49.63 71.36 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.047 176.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.46 ' O ' HG12 ' A' ' 11' ' ' ILE . 45.9 mm -66.95 -41.57 87.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.337 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 5' ' ' PRO . 89.7 mt -55.77 -46.4 77.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.924 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.441 ' O ' HG23 ' A' ' 13' ' ' VAL . 33.9 t70 -69.25 -41.31 77.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.996 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.48 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 54.4 mt-30 -58.52 -34.76 71.33 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.253 178.131 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.639 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 41.3 mm -62.42 -43.9 98.7 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 121.16 0.505 . . . . 0.0 109.876 174.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.9 mtp85 -60.91 -45.15 95.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.983 177.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 9' ' ' ASP . 86.1 t -61.46 -50.26 81.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.713 -176.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.639 ' CD2' ' HA ' ' A' ' 11' ' ' ILE . 12.2 p80 -67.1 -27.86 67.69 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.792 -178.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.05 -49.16 68.95 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.782 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.414 ' HB2' ' HG3' ' A' ' 117' ' ' PRO . . . -69.38 -31.02 69.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.989 0.423 . . . . 0.0 110.678 178.216 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -66.26 -38.89 88.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.303 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.19 -27.77 22.81 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.958 -177.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.718 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 1.9 t80 -55.24 148.35 31.6 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.862 -177.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.718 ' HA ' ' CG ' ' A' ' 19' ' ' TYR . 89.5 Cg_endo -80.06 -3.76 40.8 Favored 'Cis proline' 0 C--N 1.351 0.69 0 C-N-CA 124.171 -1.179 . . . . 0.0 113.816 4.615 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -71.26 147.93 47.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.457 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -77.52 77.54 4.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.187 0.518 . . . . 0.0 111.398 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.61 100.33 0.74 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.917 176.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 59.3 m -110.81 176.02 5.19 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.946 0.403 . . . . 0.0 110.989 -175.528 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 174.7 -158.03 25.78 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.036 -178.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -120.3 152.09 38.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.844 0.354 . . . . 0.0 111.096 -175.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.1 mt -100.07 123.33 44.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.688 176.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.475 HD22 ' HB2' ' A' ' 71' ' ' ALA . 70.3 mt -105.08 131.97 51.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.243 0.544 . . . . 0.0 110.417 -177.502 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.15 -157.3 16.17 Favored Glycine 0 N--CA 1.441 -0.98 0 N-CA-C 111.456 -0.657 . . . . 0.0 111.456 -178.6 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.452 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 1.3 p -136.51 148.73 47.78 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.751 0.31 . . . . 0.0 111.506 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 36' ' ' ASP . 62.2 t -98.19 131.88 44.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 173.359 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.1 p -73.38 176.61 5.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.833 0.349 . . . . 0.0 111.011 -177.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -67.28 -28.25 67.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.186 177.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -87.38 -12.3 46.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.686 -177.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.86 16.44 13.92 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.518 -0.849 . . . . 0.0 113.105 175.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.504 ' O ' ' HA ' ' A' ' 31' ' ' VAL . 11.6 m-20 -76.95 139.8 40.26 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 117.048 0.424 . . . . 0.0 110.57 176.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -102.4 108.69 20.11 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.499 175.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 30' ' ' THR . 7.8 ptm180 -110.31 136.5 49.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.269 0.557 . . . . 0.0 109.864 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.5 t -107.82 121.21 60.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.957 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.302 -178.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.91 -30.41 7.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.611 -177.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.1 154.17 51.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.339 . . . . 0.0 111.354 -176.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.3 mt -116.33 148.39 40.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.7 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -133.67 122.13 22.98 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.474 176.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 -90.22 140.25 29.86 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.751 176.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.167 0 CA-C-O 121.054 0.454 . . . . 0.0 110.706 178.287 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.402 ' CG ' ' H ' ' A' ' 64' ' ' TYR . 5.5 t70 . . . . . 0 CA--C 1.538 0.513 0 CA-C-O 121.048 0.452 . . . . 0.0 111.417 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.402 ' H ' ' CG ' ' A' ' 63' ' ' ASP . 71.5 t80 -59.71 -43.29 94.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.618 -172.514 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -53.98 -37.14 63.66 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -173.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.39 -41.43 63.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.88 0.372 . . . . 0.0 111.29 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.52 -34.69 76.32 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.179 177.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -58.38 -46.51 86.2 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.872 177.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.87 -49.6 56.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.217 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.39 -32.96 72.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.186 -178.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.475 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -62.72 -51.91 65.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.438 177.601 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -64.71 -36.28 83.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.733 -178.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.3 -36.52 78.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.156 0.503 . . . . 0.0 111.251 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -86.42 -3.29 58.98 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.078 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.07 26.52 52.64 Favored Glycine 0 N--CA 1.454 -0.164 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.426 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 74.9 mt -127.65 -178.21 4.39 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -143.09 176.85 8.79 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 173.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.7 t -82.06 101.92 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.966 0.413 . . . . 0.0 110.148 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.6 m -94.95 -17.24 7.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -178.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.535 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -165.17 172.12 40.71 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 119.996 -1.097 . . . . 0.0 113.158 -178.488 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' A' ' 107' ' ' TYR . 9.7 t -135.16 157.77 40.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 177.708 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -137.43 145.5 43.24 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.249 -0.58 . . . . 0.0 111.564 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 66.1 m170 -122.62 147.18 46.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.586 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -107.37 141.83 38.12 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 176.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.406 ' O ' ' HE1' ' A' ' 19' ' ' TYR . 20.1 m170 -106.98 140.42 21.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.414 178.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -98.49 -3.65 0.97 Allowed 'Trans proline' 0 N--CA 1.451 -0.986 0 C-N-CA 123.285 2.657 . . . . 0.0 112.086 173.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -151.82 136.34 16.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.332 -173.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 25.1 m80 66.07 160.5 0.13 Allowed Pre-proline 0 N--CA 1.471 0.605 0 O-C-N 123.886 0.742 . . . . 0.0 112.051 -178.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.32 -172.11 0.22 Allowed 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.134 2.556 . . . . 0.0 113.492 -178.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.458 ' HB2' ' HB2' ' A' ' 111' ' ' SER . . . -83.46 80.99 8.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.489 -177.431 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.508 ' HD3' ' CZ2' ' A' ' 123' ' ' TRP . 22.0 mmt180 -144.27 149.37 44.6 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 174.307 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -62.09 125.51 16.6 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.376 2.05 . . . . 0.0 113.11 -176.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.8 t -97.59 178.68 5.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.351 177.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.478 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -66.53 -49.51 66.26 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -173.295 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.8 m -77.86 -32.77 52.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.356 0.598 . . . . 0.0 109.685 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -59.47 -38.89 81.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.035 177.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.405 HD13 ' C ' ' A' ' 97' ' ' LEU . 3.3 tm? -69.19 -45.3 70.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.198 174.612 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 52.8 mt-10 -64.57 -26.05 68.24 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -175.59 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -80.47 4.5 18.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.853 0.358 . . . . 0.0 111.134 177.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -132.85 81.58 1.95 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.95 0.405 . . . . 0.0 110.614 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.5 t -110.32 2.78 19.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 122.197 0.999 . . . . 0.0 109.901 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -108.85 89.16 6.11 Favored Pre-proline 0 C--N 1.315 -0.923 0 CA-C-N 114.347 -1.297 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.54 ' HA ' HD23 ' A' ' 125' ' ' LEU . 43.2 Cg_endo -67.39 143.8 65.11 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.757 2.305 . . . . 0.0 112.594 -177.194 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.26 -43.48 0.73 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.158 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.535 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 61.8 m-85 -88.95 162.15 16.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.006 0.431 . . . . 0.0 110.993 -178.168 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.6 m -92.25 122.99 35.25 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 172.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.458 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 98.8 m-85 -102.47 114.33 28.43 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.143 0.497 . . . . 0.0 110.882 -174.52 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.1 t -98.66 126.34 51.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.949 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.1 mt -110.04 126.8 67.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 175.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.9 p -103.62 133.73 46.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.241 0.543 . . . . 0.0 110.751 -177.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.458 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 20.4 t -91.28 107.2 19.04 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.853 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 40.9 t -124.66 122.24 63.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 176.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 43.7 mtm105 -117.78 95.33 4.88 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.145 0.498 . . . . 0.0 110.941 -177.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.407 ' HA ' ' HE2' ' A' ' 19' ' ' TYR . 29.0 t70 49.33 74.92 0.17 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 114.584 -1.189 . . . . 0.0 111.693 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.415 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 81.17 -20.93 6.3 Favored Glycine 0 CA--C 1.521 0.413 0 CA-C-N 115.75 -0.659 . . . . 0.0 113.445 177.017 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -96.29 111.24 56.02 Favored Pre-proline 0 C--N 1.328 -0.351 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -176.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 5.8 Cg_exo -78.7 111.63 3.01 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 123.054 2.503 . . . . 0.0 110.757 173.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -88.67 -78.88 0.32 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.814 -173.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -144.71 159.15 43.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.136 0.493 . . . . 0.0 111.587 -172.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.533 HD21 ' HB ' ' A' ' 11' ' ' ILE . 6.9 mp -103.57 133.13 49.11 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.934 178.54 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.401 ' OG1' ' HB1' ' A' ' 90' ' ' ALA . 63.5 p -121.35 129.31 53.0 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 173.155 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.92 136.7 48.79 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.541 ' HB3' ' HB3' ' A' ' 132' ' ' PHE . 54.3 m95 -129.32 142.13 50.91 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.255 -176.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.4 127.68 52.11 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 174.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.54 HD23 ' HA ' ' A' ' 103' ' ' PRO . 43.6 tp -80.18 119.02 22.39 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.97 149.47 81.27 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.307 -178.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.77 -25.64 52.69 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.607 2.204 . . . . 0.0 111.88 177.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -74.23 -11.16 60.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.993 179.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 45.61 29.83 0.7 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.467 1.107 . . . . 0.0 112.632 -178.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 6.4 t -101.07 -20.31 15.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.986 0.422 . . . . 0.0 110.466 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -158.15 172.01 19.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.017 0.437 . . . . 0.0 110.935 -176.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.541 ' HB3' ' HB3' ' A' ' 123' ' ' TRP . 57.0 m-85 -106.83 155.09 20.1 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.397 172.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 61.5 m-70 -124.49 139.14 54.16 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 172.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -65.66 130.7 44.2 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.044 -176.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.53 167.3 10.22 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.16 179.244 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -118.76 137.62 53.24 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.276 0.56 . . . . 0.0 111.321 -173.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 38.3 mm -90.4 114.76 28.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.029 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.475 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 1.4 t -126.36 155.88 36.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.841 -178.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.409 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 78.5 mtp180 -87.44 144.33 35.53 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.61 -178.146 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 139' ' ' ARG . 3.5 Cg_exo -74.04 103.61 1.7 Allowed 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 122.925 2.416 . . . . 0.0 111.674 175.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.123 179.053 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.633 0.254 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.528 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 13.9 mptt -108.27 123.55 48.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.102 0.477 . . . . 0.0 111.09 176.485 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.4 t -159.39 173.89 15.56 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.526 177.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 51.8 p -102.78 152.18 38.42 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.646 0.26 . . . . 0.0 110.849 -178.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.432 ' HA ' ' HB2' ' A' ' 8' ' ' LEU . 12.5 Cg_endo -58.11 -27.68 80.84 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.915 2.41 . . . . 0.0 111.524 175.459 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -57.22 -44.81 84.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.739 175.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.461 ' O ' HG13 ' A' ' 11' ' ' ILE . 49.4 mm -75.27 -39.03 41.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.282 177.213 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.432 ' HB2' ' HA ' ' A' ' 5' ' ' PRO . 86.8 mt -56.98 -47.47 80.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.016 -178.481 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.413 ' O ' HG23 ' A' ' 13' ' ' VAL . 20.7 t70 -64.86 -38.27 90.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.871 0.367 . . . . 0.0 110.224 -178.45 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -59.32 -30.8 68.61 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.216 175.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 7' ' ' ILE . 63.8 mt -65.11 -42.69 95.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 175.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.453 ' HB3' ' CB ' ' A' ' 117' ' ' PRO . 29.3 mtm180 -63.19 -40.67 98.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.504 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 9' ' ' ASP . 89.3 t -56.71 -45.05 82.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.943 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 48.4 m80 -58.8 -38.27 78.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.344 -179.218 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.61 -48.26 63.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.426 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.57 -29.04 63.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 111.224 -178.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -73.71 -38.36 64.86 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.229 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.734 ' O ' ' HG2' ' A' ' 21' ' ' GLU . . . -84.28 -29.22 26.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.316 -0.857 . . . . 0.0 112.578 -174.467 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.466 ' CE2' ' HA ' ' A' ' 114' ' ' ASP . 41.3 t80 -46.41 135.79 7.32 Favored Pre-proline 0 N--CA 1.469 0.476 0 O-C-N 123.106 0.254 . . . . 0.0 111.056 -175.664 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.443 ' HA ' ' CG ' ' A' ' 19' ' ' TYR . 25.6 Cg_endo -91.27 -3.76 52.42 Favored 'Cis proline' 0 N--CA 1.46 -0.487 0 C-N-CA 124.19 -1.171 . . . . 0.0 114.445 4.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.734 ' HG2' ' O ' ' A' ' 18' ' ' ALA . 11.5 pt-20 -71.53 163.81 27.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 110.905 -175.142 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -75.01 98.79 3.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.066 0.46 . . . . 0.0 110.79 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.482 ' HA3' ' CB ' ' A' ' 18' ' ' ALA . . . -105.11 27.72 17.49 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.699 177.704 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.419 ' HB3' ' HA ' ' A' ' 83' ' ' HIS . 6.0 p -74.43 172.69 11.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.518 -0.341 . . . . 0.0 110.814 -179.068 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -171.68 -158.81 16.52 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.302 -0.952 . . . . 0.0 112.782 -179.072 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.476 ' HA ' ' HA ' ' A' ' 81' ' ' VAL . 89.8 m-85 -114.98 156.51 24.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.883 0.373 . . . . 0.0 110.529 -175.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.458 HD11 HG23 ' A' ' 108' ' ' VAL . 78.9 mt -94.07 119.68 33.27 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.595 179.007 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.43 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 76.9 mt -104.64 135.29 46.31 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.963 0.411 . . . . 0.0 109.909 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.457 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . -177.03 -150.04 8.11 Favored Glycine 0 N--CA 1.439 -1.104 0 C-N-CA 120.522 -0.847 . . . . 0.0 111.604 179.303 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.9 p -135.14 153.46 51.98 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.741 0.305 . . . . 0.0 110.526 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.2 t -90.81 118.93 37.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 175.066 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.0 p -79.3 173.44 12.58 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 -176.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -65.67 -16.28 63.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.469 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -66.98 -30.75 70.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.474 176.229 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.88 13.26 55.32 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 -173.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -100.68 169.13 9.24 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.522 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 3.0 m-20 -102.78 108.43 19.66 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -176.454 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.528 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 12.4 ttp180 -96.35 110.39 22.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.526 -177.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.9 t -85.31 124.24 39.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.292 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.21 -20.71 6.11 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.558 -178.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.43 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -139.87 154.64 47.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.897 0.38 . . . . 0.0 111.403 -178.398 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.4 mt -118.79 127.5 53.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.289 -179.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -123.51 121.6 36.07 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.164 -0.309 . . . . 0.0 110.164 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -73.35 139.26 45.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.274 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 121.398 0.618 . . . . 0.0 110.426 177.395 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 . . . . . 0 C--O 1.236 0.353 0 CA-C-O 120.627 0.251 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -57.36 -40.35 77.93 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.874 178.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -56.15 -38.05 70.33 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.216 0.322 . . . . 0.0 111.776 -177.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.56 -39.46 81.02 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.775 0.322 . . . . 0.0 111.174 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.69 -39.59 76.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.997 0.427 . . . . 0.0 110.143 176.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -66.12 -44.45 84.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.783 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.5 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -60.88 -53.64 54.89 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.029 -178.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.94 -34.53 77.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.123 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.401 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -62.68 -48.88 77.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.092 176.489 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -67.57 -32.5 73.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.516 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 50.3 mt-10 -60.97 -39.4 89.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.11 0.481 . . . . 0.0 110.8 174.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -82.69 -29.98 29.53 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.66 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.3 26.16 6.71 Favored Glycine 0 C--O 1.229 -0.209 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.098 -178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 70.3 mt -126.51 177.65 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -134.52 175.02 9.91 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 173.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.415 HG13 ' HB3' ' A' ' 26' ' ' PHE . 20.8 t -85.04 103.84 12.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.423 -176.572 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.522 ' HB ' ' HB3' ' A' ' 37' ' ' ASN . 27.2 m -100.39 4.99 10.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.741 -175.624 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.401 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . 170.3 -172.11 43.84 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 119.795 -1.193 . . . . 0.0 112.906 178.347 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.476 ' HA ' ' HA ' ' A' ' 26' ' ' PHE . 2.9 t -138.85 150.88 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -136.93 136.69 38.82 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.419 ' HA ' ' HB3' ' A' ' 24' ' ' CYS . 28.8 p-80 -147.94 137.05 22.13 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.96 0.41 . . . . 0.0 111.274 -177.63 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 m -106.76 138.44 42.93 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.487 -177.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 1.4 p80 -166.9 142.08 3.46 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.109 170.536 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 5.2 Cg_endo -88.88 116.39 0.8 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 123.554 2.836 . . . . 0.0 110.162 171.136 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -165.5 -55.18 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.418 0.628 . . . . 0.0 110.696 -169.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -141.35 154.73 67.52 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.001 178.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -67.43 84.0 0.37 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.731 2.287 . . . . 0.0 113.56 -171.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 58.52 23.13 10.45 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.302 175.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.556 ' HD3' ' O ' ' A' ' 92' ' ' PRO . 0.2 OUTLIER -127.07 152.25 75.48 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 175.34 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.556 ' O ' ' HD3' ' A' ' 91' ' ' ARG . 14.2 Cg_endo -55.94 154.84 25.42 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 123.078 2.519 . . . . 0.0 112.903 -177.055 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.5 t -97.34 -175.84 3.34 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -60.49 -43.25 97.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.01 0.433 . . . . 0.0 109.846 176.369 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.8 m -61.3 -39.56 90.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.103 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.414 ' OD2' ' NE2' ' A' ' 83' ' ' HIS . 6.1 m-20 -59.76 -43.45 94.31 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.212 178.337 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.34 -45.01 81.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.773 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 44.0 mt-10 -60.44 -39.02 85.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.309 -0.86 . . . . 0.0 112.717 -176.041 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -109.79 20.67 17.8 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -172.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -108.3 103.41 12.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.987 0.423 . . . . 0.0 110.548 174.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.9 m -142.79 20.52 1.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.187 0.518 . . . . 0.0 110.603 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -130.59 86.45 52.94 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.273 0.558 . . . . 0.0 111.319 -178.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.41 177.64 3.76 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 123.151 2.567 . . . . 0.0 112.169 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 90.33 -22.13 28.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.73 -177.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.401 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 89.8 m-85 -100.8 143.07 31.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.262 -0.469 . . . . 0.0 109.838 175.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.1 m -91.34 123.99 35.2 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -93.78 109.03 20.72 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.339 -178.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.458 HG23 HD11 ' A' ' 27' ' ' LEU . 63.3 t -95.22 116.84 37.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-O 121.229 0.538 . . . . 0.0 110.117 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.8 mt -110.98 117.97 56.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.197 177.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.652 ' HB ' HD23 ' A' ' 120' ' ' LEU . 2.8 p -110.12 134.65 51.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.259 -179.439 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.517 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 29.7 t -81.34 107.36 14.06 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.151 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 65.9 t -112.98 116.61 53.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -108.97 87.65 2.54 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.447 -176.076 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.466 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 35.7 t70 67.69 -71.79 0.1 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 114.828 -1.078 . . . . 0.0 111.468 179.08 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -134.51 6.41 4.56 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.598 -0.81 . . . . 0.0 111.82 178.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -115.27 110.79 45.01 Favored Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -176.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.453 ' CB ' ' HB3' ' A' ' 12' ' ' ARG . 7.5 Cg_exo -73.42 101.71 1.39 Allowed 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.725 2.283 . . . . 0.0 110.627 171.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.517 ' HB3' ' HB3' ' A' ' 111' ' ' SER . 42.5 tt0 -74.25 -70.38 0.4 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.666 -172.353 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -142.83 146.59 34.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.007 0.432 . . . . 0.0 112.163 -174.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.652 HD23 ' HB ' ' A' ' 110' ' ' VAL . 68.6 mt -100.47 122.2 42.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.092 174.657 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 38.5 p -129.78 132.54 46.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.775 0.322 . . . . 0.0 110.467 176.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.85 135.04 51.37 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.277 0.561 . . . . 0.0 110.499 -178.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.401 ' CZ2' ' HD3' ' A' ' 134' ' ' ARG . 73.1 m95 -123.44 140.53 52.91 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.102 -174.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -111.28 127.63 55.69 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.461 173.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 55.8 tp -80.5 120.97 25.18 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . . . -58.73 132.47 86.17 Favored Pre-proline 0 N--CA 1.447 -0.576 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.462 176.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 126' ' ' ALA . 53.1 Cg_exo -56.32 -26.36 61.55 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.605 2.203 . . . . 0.0 111.57 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.12 -18.34 65.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.91 176.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 45.4 mtm180 60.08 41.53 17.06 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.294 0.568 . . . . 0.0 110.811 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.3 t -103.14 -32.66 9.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.725 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -168.96 178.8 4.35 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.564 -174.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -105.19 152.73 22.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.432 173.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -123.78 138.01 54.58 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 173.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.401 ' HD3' ' CZ2' ' A' ' 123' ' ' TRP . 2.7 ttp180 -86.17 126.74 34.46 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.506 -178.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -112.23 149.05 32.83 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.497 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -84.72 140.8 31.02 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.875 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 66.8 mt -83.81 115.18 25.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.469 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 1.5 t -108.66 155.33 9.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.077 -174.216 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -105.78 129.65 24.29 Favored Pre-proline 0 C--N 1.311 -1.068 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.018 -176.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.67 140.3 61.54 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.375 2.05 . . . . 0.0 111.831 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.232 177.465 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ttt . . . . . 0 N--CA 1.483 1.207 0 CA-C-O 120.77 0.319 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -107.26 135.75 48.24 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 174.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.426 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 14.6 t -150.97 171.77 16.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.635 0.255 . . . . 0.0 110.678 -177.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.42 ' OG1' HG12 ' A' ' 7' ' ' ILE . 46.4 p -106.96 151.72 40.73 Favored Pre-proline 0 N--CA 1.449 -0.499 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.539 -178.474 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -57.47 -27.76 77.71 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.652 2.235 . . . . 0.0 111.384 175.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.421 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 21.5 t70 -60.08 -44.91 94.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.933 177.125 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.579 ' O ' HG12 ' A' ' 11' ' ' ILE . 40.7 mm -62.45 -45.4 98.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.749 178.708 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.575 HD11 HG21 ' A' ' 137' ' ' ILE . 83.1 mt -62.58 -37.81 87.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.138 -179.459 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.632 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 16.1 t70 -67.24 -42.55 83.8 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 178.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 57.0 mt-30 -60.71 -30.7 70.11 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.844 175.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.579 HG12 ' O ' ' A' ' 7' ' ' ILE . 42.5 mm -62.34 -46.7 95.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.77 177.15 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.632 ' HG2' ' O ' ' A' ' 9' ' ' ASP . 25.7 ptt180 -65.93 -31.36 72.24 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.1 178.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 9' ' ' ASP . 99.2 t -68.87 -47.38 76.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.774 178.521 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -61.78 -28.32 69.37 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 121.134 -0.226 . . . . 0.0 110.704 -177.297 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.45 ' O ' ' HB2' ' A' ' 19' ' ' TYR . . . -66.45 -49.76 54.29 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.112 179.547 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.83 -34.34 64.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.756 0.312 . . . . 0.0 111.049 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -71.04 -39.46 72.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.19 0.519 . . . . 0.0 111.928 -175.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.488 ' HB1' ' HA3' ' A' ' 23' ' ' GLY . . . -85.69 -27.78 25.1 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.751 -176.076 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.567 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 0.1 OUTLIER -60.15 150.17 72.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.795 -178.592 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.567 ' HA ' ' CG ' ' A' ' 19' ' ' TYR . 88.4 Cg_endo -83.22 -3.49 53.38 Favored 'Cis proline' 0 C--N 1.345 0.382 0 C-N-CA 123.811 -1.329 . . . . 0.0 113.591 3.557 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.69 161.41 30.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.189 0.519 . . . . 0.0 111.435 -177.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -77.17 94.91 4.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.569 -177.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.488 ' HA3' ' HB1' ' A' ' 18' ' ' ALA . . . -114.98 77.54 0.26 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.424 179.428 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.3 m -86.23 -164.69 1.08 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -177.93 -177.44 46.71 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 119.793 -1.194 . . . . 0.0 113.151 178.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -118.77 154.19 33.21 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.693 0.283 . . . . 0.0 110.473 -177.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.476 HD11 HG23 ' A' ' 108' ' ' VAL . 75.5 mt -94.32 118.71 32.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.013 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.618 HD22 ' HB2' ' A' ' 71' ' ' ALA . 58.2 mt -104.75 134.52 47.76 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.92 -154.96 13.59 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 120.294 -0.955 . . . . 0.0 112.318 -178.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 p -135.82 157.85 45.83 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 120.884 0.373 . . . . 0.0 110.512 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.58 106.05 16.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.44 0.638 . . . . 0.0 109.838 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.3 p -74.16 128.35 35.31 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.832 -177.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.7 t70 68.53 1.27 2.9 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 123.705 0.628 . . . . 0.0 110.346 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.6 t70 65.11 30.78 11.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.208 -175.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -133.15 -50.84 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 114.535 -1.212 . . . . 0.0 112.721 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -107.16 161.92 14.33 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -109.23 120.19 41.78 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.678 0.275 . . . . 0.0 111.016 -173.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -100.81 123.22 44.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.835 0.35 . . . . 0.0 110.664 176.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.432 HG11 HD22 ' A' ' 27' ' ' LEU . 54.6 t -89.1 122.79 40.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 174.326 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.82 -31.5 5.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.767 0.318 . . . . 0.0 111.401 -177.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.443 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -134.62 160.22 38.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.859 0.361 . . . . 0.0 111.161 -177.36 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.9 mt -126.39 138.36 53.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.259 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 48.5 t60 -119.07 126.99 52.96 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 174.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.7 mtt-85 -85.47 137.28 33.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.295 -177.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.517 178.993 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 . . . . . 0 C--O 1.234 0.281 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -69.39 -46.0 67.93 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.739 -178.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -57.31 -39.13 75.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.881 0.372 . . . . 0.0 111.194 -177.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.69 -36.09 83.16 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.216 176.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.38 -41.02 77.07 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.024 0.44 . . . . 0.0 110.382 176.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.1 -38.1 81.94 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.265 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.44 -42.04 99.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.926 177.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.428 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . . . -63.78 -32.65 74.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.904 179.046 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.618 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -64.68 -48.81 73.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.864 175.048 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -60.44 -36.75 78.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.812 178.181 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.428 ' OE1' ' HA ' ' A' ' 70' ' ' ALA . 42.0 mt-10 -54.17 -43.36 70.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.387 0.613 . . . . 0.0 111.033 175.317 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -95.42 2.83 54.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.093 -0.958 . . . . 0.0 112.232 -174.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.68 27.9 73.52 Favored Glycine 0 CA--C 1.517 0.194 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.146 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.3 mt -116.88 -174.46 2.58 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -142.54 172.69 12.35 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 172.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.9 t -83.94 107.29 15.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 -176.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.4 m -96.28 -4.87 10.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.523 -176.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.401 ' HA3' HD12 ' A' ' 27' ' ' LEU . . . 178.27 -175.92 47.71 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.616 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.3 t -140.6 154.19 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.458 ' HB3' ' HB ' ' A' ' 108' ' ' VAL . 53.7 p90 -133.83 136.49 44.46 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.026 0.441 . . . . 0.0 109.886 175.437 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -142.54 133.97 26.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.696 -176.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.2 m -106.48 128.66 54.25 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.548 -176.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.476 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 3.3 p-80 -125.24 144.59 47.95 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.141 177.201 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 2.7 Cg_exo -76.14 157.85 37.9 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.829 2.353 . . . . 0.0 111.415 175.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.2 t70 71.21 152.24 0.11 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.906 0.754 . . . . 0.0 111.403 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.441 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 36.5 m80 67.44 143.13 0.08 OUTLIER Pre-proline 0 N--CA 1.468 0.455 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.149 -174.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 88' ' ' HIS . 5.9 Cg_exo -78.84 78.02 3.86 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.814 2.342 . . . . 0.0 111.473 178.01 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.546 ' H ' ' HB2' ' A' ' 111' ' ' SER . . . 61.13 -154.49 0.36 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.069 -177.185 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.434 ' HG2' ' CZ2' ' A' ' 123' ' ' TRP . 44.4 mtm180 65.5 148.06 0.11 Allowed Pre-proline 0 C--O 1.236 0.354 0 O-C-N 123.622 0.577 . . . . 0.0 111.89 -179.169 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -62.67 124.83 14.83 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.376 2.051 . . . . 0.0 112.0 178.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.405 ' H ' ' HB3' ' A' ' 96' ' ' ASP . 21.8 m -85.25 177.82 7.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.674 176.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.23 -49.28 77.75 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -172.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.5 m -79.92 -33.33 39.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.48 0.657 . . . . 0.0 109.89 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.405 ' HB3' ' H ' ' A' ' 93' ' ' SER . 18.7 t70 -60.25 -42.28 94.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.165 178.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.749 ' HG ' ' HE1' ' A' ' 132' ' ' PHE . 6.2 tt -70.23 -42.09 72.7 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.499 177.491 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -58.39 -39.57 80.02 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -175.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -92.65 8.37 39.38 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -174.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.64 74.61 10.24 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.384 0.612 . . . . 0.0 109.41 172.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.93 19.32 20.72 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.936 -171.317 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -119.76 86.82 36.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.842 0.353 . . . . 0.0 111.679 -177.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -65.34 156.55 62.62 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.939 2.426 . . . . 0.0 111.882 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.97 -28.76 13.75 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.651 -177.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -90.54 143.95 26.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.899 0.38 . . . . 0.0 110.614 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.5 m -92.01 132.19 36.73 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 175.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -106.44 119.69 39.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.022 0.439 . . . . 0.0 111.449 -174.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.476 HG23 HD11 ' A' ' 27' ' ' LEU . 58.5 t -96.05 121.66 46.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.64 173.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.4 mm -110.23 118.43 57.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.764 -178.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 4.0 p -132.8 128.74 57.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.278 178.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.546 ' HB2' ' H ' ' A' ' 90' ' ' ALA . 21.5 t -88.97 107.51 19.06 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.944 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.475 ' HA ' ' HA ' ' A' ' 117' ' ' PRO . 40.1 t -105.36 116.26 48.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 177.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.444 ' C ' ' H ' ' A' ' 115' ' ' GLY . 56.0 mtp180 -125.33 120.02 29.99 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.202 -171.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 113' ' ' ARG . 22.8 t70 72.08 -16.67 0.4 Allowed 'General case' 0 N--CA 1.472 0.664 0 O-C-N 123.845 0.716 . . . . 0.0 111.688 179.398 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.444 ' H ' ' C ' ' A' ' 113' ' ' ARG . . . 138.7 -11.98 3.43 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -177.533 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.435 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . . . -107.28 119.92 49.37 Favored Pre-proline 0 N--CA 1.453 -0.277 0 CA-C-O 120.727 0.299 . . . . 0.0 111.334 -178.387 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 112' ' ' VAL . 4.4 Cg_exo -77.85 113.37 3.45 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 123.224 2.616 . . . . 0.0 111.216 173.131 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -83.31 -69.19 0.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.892 0.377 . . . . 0.0 111.381 -176.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' A' ' 90' ' ' ALA . . . -109.52 128.91 55.53 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.503 -175.198 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.66 124.4 50.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.398 175.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 28.2 p -138.07 137.83 38.17 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 -176.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -110.11 133.74 52.9 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.488 ' CZ3' ' HB2' ' A' ' 134' ' ' ARG . 60.3 m95 -133.04 140.62 47.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.814 -174.496 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.63 133.45 49.46 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 172.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 65.4 tp -85.06 140.71 30.79 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.698 -176.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.15 142.04 92.38 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 173.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -51.83 -40.57 65.87 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.881 2.387 . . . . 0.0 112.545 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -86.53 1.26 52.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.796 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 12.7 mtm180 61.24 30.43 19.2 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.856 -178.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.6 m -63.95 -43.99 94.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.241 177.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.08 -173.61 3.5 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.947 -177.59 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.749 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 59.9 m-85 -114.75 145.43 42.1 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.526 172.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -122.59 124.59 43.85 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.399 0.619 . . . . 0.0 110.071 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.488 ' HB2' ' CZ3' ' A' ' 123' ' ' TRP . 11.6 tpt180 -73.77 139.57 45.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.501 -1.227 . . . . 0.0 111.474 -174.191 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -131.24 156.27 45.68 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 175.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -96.93 165.72 11.96 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -178.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.575 HG21 HD11 ' A' ' 8' ' ' LEU . 47.2 mm -84.45 113.24 22.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.033 0.444 . . . . 0.0 110.99 -174.534 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 14.2 m -115.14 141.85 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.243 175.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -85.55 157.54 58.22 Favored Pre-proline 0 N--CA 1.442 -0.861 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.405 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 3' ' ' THR . 45.9 Cg_exo -55.07 115.34 2.37 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.135 1.89 . . . . 0.0 111.027 174.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 N--CA 1.461 0.12 0 O-C-N 123.823 0.702 . . . . 0.0 109.968 179.784 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.534 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 16.7 ttt . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.774 0.321 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -101.23 136.46 41.04 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 174.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.0 t -157.72 173.4 16.88 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 175.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.7 p -112.7 154.06 44.87 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.778 0.323 . . . . 0.0 110.927 -176.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.52 ' HA ' HD12 ' A' ' 8' ' ' LEU . 13.0 Cg_endo -57.4 -29.59 84.94 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.059 2.506 . . . . 0.0 112.165 178.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -60.63 -43.14 97.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.253 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.462 ' O ' HG13 ' A' ' 11' ' ' ILE . 49.5 mm -68.22 -43.41 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.393 176.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.66 HD11 HG21 ' A' ' 137' ' ' ILE . 85.4 mt -56.08 -42.25 76.43 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.119 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.685 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 27.2 t70 -67.64 -42.47 82.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.32 -179.381 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -58.56 -30.86 67.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.225 176.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 7' ' ' ILE . 70.5 mt -71.88 -50.27 39.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.815 0.34 . . . . 0.0 110.768 175.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.685 ' HG2' ' HA ' ' A' ' 9' ' ' ASP . 5.9 ptp180 -66.19 -37.04 84.65 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.947 -174.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 9' ' ' ASP . 70.6 t -64.36 -49.0 82.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-O 120.743 0.306 . . . . 0.0 110.737 -178.599 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -67.35 -28.86 68.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.615 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.63 -42.55 87.69 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.417 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.25 -34.44 65.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.128 0.489 . . . . 0.0 110.414 178.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -63.71 -37.37 87.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.694 176.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.44 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -107.41 48.72 0.83 Allowed 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.493 -178.576 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.74 ' CE2' ' HA ' ' A' ' 114' ' ' ASP . 67.1 t80 -90.64 142.0 27.55 Favored Pre-proline 0 C--N 1.326 -0.413 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 177.151 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.681 ' HA ' ' CD1' ' A' ' 19' ' ' TYR . 84.2 Cg_endo -83.97 -12.6 39.9 Favored 'Cis proline' 0 C--N 1.349 0.591 0 C-N-CA 123.751 -1.354 . . . . 0.0 113.548 2.321 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.481 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 7.8 pt-20 -168.82 114.79 0.61 Allowed 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.138 0.494 . . . . 0.0 111.536 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 28.2 mm-40 -168.35 8.04 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.07 174.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -146.66 39.23 1.1 Allowed Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 119.734 -1.222 . . . . 0.0 114.142 -171.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.0 p -83.8 -175.72 5.94 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 172.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.488 ' HA2' ' HB2' ' A' ' 45' ' ' ALA . . . 161.75 -162.62 34.16 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 119.69 -1.243 . . . . 0.0 113.391 177.544 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -112.1 160.06 17.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.894 0.378 . . . . 0.0 110.868 -175.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.0 mt -100.76 119.87 39.27 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.202 178.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.5 mt -104.87 134.2 48.39 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.79 -159.13 21.12 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 120.193 -1.003 . . . . 0.0 111.947 -177.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.475 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 0.7 OUTLIER -136.07 161.15 36.49 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 120.909 0.385 . . . . 0.0 110.631 -179.359 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.6 t -88.09 106.85 16.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 174.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.405 ' HB ' ' HD2' ' A' ' 38' ' ' ARG . 7.2 t -91.34 -40.26 11.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.274 -163.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -74.09 -11.43 60.31 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.694 0.759 . . . . 0.0 109.192 173.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.4 t70 70.46 9.7 7.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 113.721 -1.582 . . . . 0.0 108.713 -171.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -136.82 -24.45 0.47 Allowed Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 114.09 -1.413 . . . . 0.0 111.758 176.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -131.47 154.64 48.51 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.534 ' O ' ' HA ' ' A' ' 1' ' ' MET . 9.2 p30 -94.08 147.94 22.65 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 121.524 0.678 . . . . 0.0 112.232 -170.263 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.475 ' HG2' ' O ' ' A' ' 30' ' ' THR . 5.2 ptm180 -116.14 146.13 42.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.255 171.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 82.0 t -103.59 119.72 52.61 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.57 -33.57 3.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.464 -175.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.72 133.86 51.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.164 0.507 . . . . 0.0 111.407 -176.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.2 mt -98.82 150.23 22.07 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.096 176.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -146.85 137.57 23.84 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 174.29 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -91.87 138.05 31.86 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.093 -175.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.488 ' HB2' ' HA2' ' A' ' 25' ' ' GLY . . . . . . . . 0 C--N 1.323 -0.572 0 CA-C-O 121.042 0.449 . . . . 0.0 110.668 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 C--O 1.235 0.302 0 CA-C-O 121.158 0.504 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -55.54 -43.01 75.41 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.57 178.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -35.77 81.85 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.899 -178.239 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.3 -44.42 87.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.861 0.362 . . . . 0.0 110.902 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.04 -35.45 76.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.083 175.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.19 -44.2 92.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.793 177.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.29 -47.8 82.52 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.423 176.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.65 -34.96 76.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.76 178.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.69 -51.62 67.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.835 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -64.82 -35.1 80.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.665 0.269 . . . . 0.0 111.09 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -62.24 -40.87 97.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.183 0.516 . . . . 0.0 111.94 176.178 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -83.27 -25.39 31.65 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.644 -177.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.33 30.14 11.32 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -173.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 71.7 mt -123.67 -173.85 2.84 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -176.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -141.11 171.8 13.56 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 171.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.0 t -85.23 107.96 16.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.943 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 35.3 m -93.71 -10.07 9.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.687 -173.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.467 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . 173.62 -168.8 41.8 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 119.795 -1.193 . . . . 0.0 113.15 179.395 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.5 t -137.52 156.68 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.411 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 53.2 p90 -131.66 137.2 48.23 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.4 0.619 . . . . 0.0 111.045 176.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.8 m170 -118.56 151.61 37.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.481 -178.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.8 p -104.96 130.97 53.03 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.853 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.469 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 0.7 OUTLIER -120.77 147.0 44.92 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.707 -179.388 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 2.7 Cg_exo -76.99 -162.45 0.17 Allowed 'Trans proline' 0 CA--C 1.531 0.332 0 C-N-CA 123.881 3.054 . . . . 0.0 113.174 -178.694 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.457 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 26.1 t70 -46.51 157.08 0.15 Allowed 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.219 1.008 . . . . 0.0 112.245 -179.252 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.459 ' HB3' ' HD2' ' A' ' 89' ' ' PRO . 41.0 m80 69.1 157.74 0.15 Allowed Pre-proline 0 N--CA 1.474 0.75 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.863 -170.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.459 ' HD2' ' HB3' ' A' ' 88' ' ' HIS . 19.7 Cg_endo -59.36 125.83 19.09 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.161 2.574 . . . . 0.0 112.587 -175.41 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.485 ' HB1' HG22 ' A' ' 109' ' ' ILE . . . -75.87 97.03 3.82 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.614 -174.447 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -110.08 146.44 34.19 Favored Pre-proline 0 C--N 1.318 -0.796 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 164.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -56.17 128.75 31.45 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.698 2.265 . . . . 0.0 113.342 -173.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.9 m -79.28 -179.19 6.61 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.702 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.6 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -60.87 -47.62 85.56 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.702 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 89.4 m -62.76 -31.93 72.97 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.699 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -57.24 -45.0 84.35 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.127 0.489 . . . . 0.0 109.924 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 97' ' ' LEU . 1.6 tm? -70.05 -43.84 70.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.164 177.471 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.6 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 47.0 mt-10 -52.56 -40.39 62.52 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.424 -174.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -100.73 6.18 43.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.009 0.433 . . . . 0.0 111.171 -174.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.44 65.57 9.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.253 0.549 . . . . 0.0 110.765 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.552 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 1.2 m -99.21 26.71 5.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.431 -179.132 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.408 ' HB3' ' CD1' ' A' ' 105' ' ' PHE . 80.8 m-85 -111.44 87.08 7.32 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.052 -178.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.552 ' HD3' ' O ' ' A' ' 101' ' ' THR . 7.8 Cg_exo -72.48 124.01 9.54 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 122.632 2.221 . . . . 0.0 112.078 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 101.76 12.95 33.46 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.002 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.467 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 19.3 m-85 -112.15 148.1 34.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.802 0.334 . . . . 0.0 110.518 179.099 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 21.7 m -95.85 129.97 42.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.001 176.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -106.37 111.45 24.04 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.848 0.356 . . . . 0.0 110.864 -177.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 82' ' ' TYR . 60.0 t -99.06 124.71 52.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.009 0.433 . . . . 0.0 110.145 177.706 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.485 HG22 ' HB1' ' A' ' 90' ' ' ALA . 53.1 mt -120.26 121.69 66.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.83 178.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.523 HG23 ' HG ' ' A' ' 120' ' ' LEU . 7.2 p -103.68 134.42 44.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.453 0.644 . . . . 0.0 110.924 -177.618 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.6 m -85.84 106.82 17.34 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.035 178.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.1 t -113.43 114.8 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.057 0.456 . . . . 0.0 110.142 178.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.473 HH11 ' HD3' ' A' ' 113' ' ' ARG . 1.0 OUTLIER -98.75 90.01 4.54 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.366 -179.137 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.74 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 17.4 t70 56.32 28.67 13.75 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.59 175.22 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.406 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 114.66 -7.92 22.12 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.54 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -106.8 101.57 37.6 Favored Pre-proline 0 C--N 1.322 -0.629 0 O-C-N 122.787 -0.243 . . . . 0.0 110.639 176.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 5.5 Cg_exo -76.98 110.15 2.98 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 123.03 2.487 . . . . 0.0 111.227 177.373 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -92.92 -68.55 0.79 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.029 0.442 . . . . 0.0 111.471 -174.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -115.74 142.1 47.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.334 -174.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.523 ' HG ' HG23 ' A' ' 110' ' ' VAL . 6.6 mp -114.32 122.57 47.11 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.393 -0.821 . . . . 0.0 108.949 174.638 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 49.9 p -119.62 135.54 54.76 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.628 -175.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.79 138.47 46.11 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 121.153 0.501 . . . . 0.0 110.035 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.444 ' HB3' ' HB3' ' A' ' 132' ' ' PHE . 77.0 m95 -131.31 139.13 49.5 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.703 -175.285 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.3 132.95 49.99 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.57 174.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 60.1 tp -80.48 131.97 35.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.687 -177.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.35 143.33 98.71 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.799 175.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_exo -52.28 -39.57 72.01 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.953 2.435 . . . . 0.0 112.924 -177.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -92.11 10.29 29.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 -177.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 60.55 24.42 14.1 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.099 0.476 . . . . 0.0 110.677 -177.472 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.2 m -63.26 -38.35 90.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.846 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -171.74 -175.53 1.57 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.436 -175.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.444 ' HB3' ' HB3' ' A' ' 123' ' ' TRP . 63.2 m-85 -106.75 156.61 18.47 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 170.495 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -121.09 137.31 54.72 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 22.4 tpt85 -81.94 135.91 35.35 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 114.622 -1.172 . . . . 0.0 111.386 -172.012 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -146.8 155.99 42.78 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 114.741 -1.118 . . . . 0.0 108.913 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -106.77 171.44 7.36 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.66 HG21 HD11 ' A' ' 8' ' ' LEU . 50.4 mm -83.91 119.71 33.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.021 0.439 . . . . 0.0 111.043 -174.566 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 11.8 m -109.49 144.67 17.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.421 177.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -91.19 157.22 43.08 Favored Pre-proline 0 C--N 1.318 -0.803 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.122 -179.404 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -67.14 86.02 0.32 Allowed 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.201 1.934 . . . . 0.0 112.592 178.297 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--N 1.318 -0.798 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.973 179.394 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.638 ' HA ' ' O ' ' A' ' 36' ' ' ASP . 20.8 ttt . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 120.686 0.279 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -100.5 122.14 42.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.393 176.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.534 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 9.7 t -158.64 167.01 30.69 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.827 175.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.424 ' OG1' HG12 ' A' ' 7' ' ' ILE . 17.2 p -98.85 153.84 37.66 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 120.838 0.351 . . . . 0.0 111.318 -176.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -54.53 -31.94 71.76 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.0 2.466 . . . . 0.0 111.937 174.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -61.75 -46.71 88.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.6 176.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.519 ' O ' HG13 ' A' ' 11' ' ' ILE . 44.9 mm -63.35 -44.46 99.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.22 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.28 -40.89 83.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.778 177.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -67.28 -43.55 81.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.401 178.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -56.6 -36.59 69.57 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.435 176.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 7' ' ' ILE . 81.3 mt -58.55 -47.0 89.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.084 0.469 . . . . 0.0 110.125 176.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.1 mtm180 -65.13 -46.78 79.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.123 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.0 t -69.03 -48.08 71.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.606 -176.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.24 -28.65 68.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.58 0.229 . . . . 0.0 110.951 -176.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.25 -43.49 98.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.509 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.496 ' HB1' ' HA2' ' A' ' 115' ' ' GLY . . . -73.24 -29.09 62.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.122 0.487 . . . . 0.0 110.491 177.403 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.86 -37.64 87.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.003 178.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.66 -38.95 80.82 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.677 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.769 ' HE2' ' HB ' ' A' ' 112' ' ' VAL . 23.1 m-30 -69.6 156.11 92.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.876 -176.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.468 ' HA ' ' HB3' ' A' ' 19' ' ' TYR . 2.8 Cg_exo -76.54 -3.14 25.32 Favored 'Cis proline' 0 C--N 1.347 0.456 0 C-N-CA 124.485 -1.048 . . . . 0.0 113.243 4.176 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -73.92 -173.19 1.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.264 177.235 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.81 -175.22 3.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.674 0.273 . . . . 0.0 111.049 178.692 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.99 91.79 1.62 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.47 -175.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.4 m -78.96 -163.8 0.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.695 0.283 . . . . 0.0 111.147 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -153.54 -171.81 21.08 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.346 -0.93 . . . . 0.0 112.711 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.441 ' HB3' HG13 ' A' ' 78' ' ' VAL . 94.9 m-85 -114.28 161.4 17.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.683 0.278 . . . . 0.0 110.808 -177.087 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.662 HD11 HG23 ' A' ' 108' ' ' VAL . 86.4 mt -94.51 122.63 37.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.72 178.553 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.612 HD22 ' HB2' ' A' ' 71' ' ' ALA . 58.3 mt -104.44 131.69 51.52 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.933 0.397 . . . . 0.0 110.183 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.552 ' HA2' HD13 ' A' ' 76' ' ' LEU . . . 175.34 -145.48 7.81 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 120.389 -0.91 . . . . 0.0 111.948 -179.107 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -135.98 152.29 50.8 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.701 0.286 . . . . 0.0 111.412 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.7 t -89.97 123.03 41.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 176.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -114.24 119.17 36.13 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -175.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.9 t70 56.71 -85.85 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 114.147 -1.388 . . . . 0.0 113.61 166.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -88.22 -20.64 25.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.017 0.437 . . . . 0.0 111.358 -174.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.2 22.69 7.04 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.44 -0.886 . . . . 0.0 111.044 -174.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.638 ' O ' ' HA ' ' A' ' 1' ' ' MET . 25.6 t70 -66.12 -35.95 81.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.478 0.656 . . . . 0.0 109.677 176.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 75.32 130.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.314 -1.312 . . . . 0.0 112.962 173.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 38' ' ' ARG . 36.7 ttt180 -112.19 106.5 15.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.775 -1.102 . . . . 0.0 109.486 -179.462 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 76.4 t -98.88 115.67 39.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.193 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.43 2.9 10.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.993 -175.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.51 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -149.25 140.69 23.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.047 0.451 . . . . 0.0 111.583 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.0 mt -119.57 137.04 54.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.284 177.05 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -141.94 135.03 28.99 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.099 0.476 . . . . 0.0 110.2 177.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -79.57 138.65 37.54 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.93 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.419 0 CA-C-O 121.173 0.511 . . . . 0.0 110.798 179.799 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 . . . . . 0 CA--C 1.519 -0.25 0 CA-C-O 121.265 0.555 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -60.72 -52.41 65.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.647 -172.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.43 -35.06 71.52 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -176.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.82 -39.22 80.14 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.959 0.409 . . . . 0.0 110.644 178.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.58 -36.93 76.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.925 174.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -59.95 -48.72 80.56 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.865 177.378 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.425 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -56.56 -52.74 63.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.763 178.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.73 -39.74 89.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.914 178.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.612 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -59.92 -49.54 77.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.657 178.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.91 -33.55 75.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.131 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 36.2 mm-40 -60.93 -43.47 98.58 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 175.494 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -76.89 -37.43 55.5 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 177.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.29 28.39 3.83 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 -177.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.552 HD13 ' HA2' ' A' ' 29' ' ' GLY . 61.6 mt -126.73 178.87 5.66 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -176.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -135.15 174.0 11.1 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 173.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.441 HG13 ' HB3' ' A' ' 26' ' ' PHE . 46.4 t -78.81 106.26 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.019 -179.057 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.6 m -101.15 -2.54 9.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.465 -176.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.498 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -179.94 -173.18 44.71 Favored Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 120.031 -1.081 . . . . 0.0 112.505 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.0 t -138.2 156.15 30.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -131.94 137.35 47.91 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.888 0.375 . . . . 0.0 110.255 176.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -130.7 132.76 45.56 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.249 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.54 ' HA ' ' O ' ' A' ' 110' ' ' VAL . 48.2 p -106.88 141.22 38.45 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.089 178.216 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -98.91 140.09 21.5 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 175.023 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -102.83 -4.13 0.28 Allowed 'Trans proline' 0 N--CA 1.455 -0.769 0 C-N-CA 123.224 2.616 . . . . 0.0 113.363 176.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -128.71 -65.67 0.87 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.08 -172.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -84.3 157.71 61.76 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.27 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.38 -164.14 0.13 Allowed 'Trans proline' 0 C--O 1.238 0.5 0 C-N-CA 123.161 2.574 . . . . 0.0 114.034 -173.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.21 -173.8 0.73 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.837 -178.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.488 ' HG3' ' CZ2' ' A' ' 123' ' ' TRP . 0.0 OUTLIER 66.16 144.65 0.09 OUTLIER Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.372 -173.234 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.63 137.63 27.92 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.579 2.186 . . . . 0.0 112.249 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 85.5 p -90.69 -178.48 5.29 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.972 178.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.559 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -58.12 -40.93 82.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.809 0.338 . . . . 0.0 110.358 174.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.431 ' HA ' ' OE1' ' A' ' 98' ' ' GLU . 4.6 m -64.73 -34.76 79.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -66.97 -40.26 87.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.007 0.432 . . . . 0.0 109.846 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.54 -40.69 97.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.62 175.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.559 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 51.3 mt-10 -57.42 -40.05 77.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.55 177.673 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -77.53 -18.41 57.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.348 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.63 93.59 6.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.121 0.486 . . . . 0.0 111.261 -177.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.1 m -123.93 18.42 9.32 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.762 0.791 . . . . 0.0 110.018 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.531 ' HB3' ' CD1' ' A' ' 105' ' ' PHE . 94.8 m-85 -117.62 87.2 25.33 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.944 177.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.506 ' HB3' ' HA ' ' A' ' 127' ' ' PRO . 16.4 Cg_exo -67.75 -5.55 14.63 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 123.042 2.495 . . . . 0.0 113.454 -174.318 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -114.36 19.96 16.55 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.091 178.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.531 ' CD1' ' HB3' ' A' ' 102' ' ' PHE . 7.7 m-85 -119.84 149.47 42.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.729 0.3 . . . . 0.0 110.663 -179.39 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.2 m -92.64 129.49 38.55 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -105.7 114.2 28.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.086 0.469 . . . . 0.0 111.068 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.662 HG23 HD11 ' A' ' 27' ' ' LEU . 99.5 t -96.25 120.43 45.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.13 177.148 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 49.0 mm -110.55 118.51 57.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.663 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.574 HG23 ' HB3' ' A' ' 120' ' ' LEU . 2.7 p -124.2 132.58 71.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.512 0.672 . . . . 0.0 111.035 -178.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.511 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 21.5 t -99.3 107.68 20.02 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.347 176.4 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.769 ' HB ' ' HE2' ' A' ' 19' ' ' TYR . 35.5 t -108.47 115.92 50.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.356 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -94.18 61.3 2.87 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -173.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 36.5 t70 54.97 82.36 0.1 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.165 -177.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.496 ' HA2' ' HB1' ' A' ' 16' ' ' ALA . . . 86.14 -30.99 4.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.639 179.328 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -101.48 106.06 43.83 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 120.898 0.38 . . . . 0.0 111.411 -178.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.459 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 14.7 Cg_exo -69.76 110.12 2.48 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.678 2.252 . . . . 0.0 111.795 178.009 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.511 ' HB3' ' HB3' ' A' ' 111' ' ' SER . 35.9 tt0 -70.3 -69.79 0.33 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.93 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -153.8 132.83 12.51 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.347 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.574 ' HB3' HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -119.76 139.7 51.89 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 174.271 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.7 m -149.76 156.8 42.45 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.875 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.5 133.4 53.13 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 176.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.488 ' CZ2' ' HG3' ' A' ' 91' ' ' ARG . 73.6 m95 -119.81 146.68 45.48 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.918 -174.045 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.08 126.99 51.63 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.203 175.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 103' ' ' PRO . 61.9 tp -81.09 135.25 35.79 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.56 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.55 125.37 79.43 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 172.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' PRO . . . . . 0.506 ' HA ' ' HB3' ' A' ' 103' ' ' PRO . 12.4 Cg_endo -56.92 -21.87 43.19 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.841 2.361 . . . . 0.0 112.159 -178.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -83.04 -2.11 54.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.507 178.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 64.16 37.51 8.86 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.781 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.5 m -90.39 -52.24 5.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.29 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -163.41 -175.27 4.14 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.889 -175.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -105.62 149.58 26.19 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -128.21 150.66 49.93 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.913 0.387 . . . . 0.0 110.438 176.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -77.39 139.64 39.75 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.727 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -138.32 152.24 48.31 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 176.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -86.46 137.16 32.76 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.09 0.471 . . . . 0.0 111.259 -177.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 73.2 mt -86.02 115.43 27.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.806 177.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.5 155.63 13.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.744 -176.718 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.445 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 47.9 mtp180 -77.31 147.89 76.73 Favored Pre-proline 0 C--N 1.316 -0.852 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.308 177.294 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.534 ' HD3' ' O ' ' A' ' 3' ' ' THR . 33.5 Cg_exo -61.24 135.78 60.33 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.764 2.309 . . . . 0.0 111.753 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.752 -178.276 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ttt . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.684 -0.117 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.536 ' HD2' ' OD2' ' A' ' 36' ' ' ASP . 0.5 OUTLIER -95.72 125.95 40.65 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 174.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.1 t -158.42 155.61 28.92 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.866 0.365 . . . . 0.0 110.367 175.087 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.7 p -82.84 154.91 68.08 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.063 -174.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.408 ' HD3' ' HG3' ' A' ' 139' ' ' ARG . 18.8 Cg_endo -60.6 -29.63 88.88 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.591 2.194 . . . . 0.0 111.013 177.005 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.538 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 21.3 t70 -61.8 -49.16 77.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.71 175.632 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.587 ' O ' HG13 ' A' ' 11' ' ' ILE . 38.7 mm -66.38 -42.42 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.311 178.571 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.651 HD21 HG21 ' A' ' 137' ' ' ILE . 77.1 mt -57.13 -43.75 82.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.008 176.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 13' ' ' VAL . 22.2 t70 -62.55 -43.99 97.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.152 178.463 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 70.4 mt-30 -60.85 -34.79 75.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.144 178.559 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 7' ' ' ILE . 66.4 mt -65.47 -41.26 90.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-O 120.866 0.365 . . . . 0.0 110.216 176.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -65.24 -49.55 69.22 Favored 'General case' 0 N--CA 1.435 -1.19 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.615 177.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 9' ' ' ASP . 66.6 t -58.21 -35.6 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.408 178.076 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.465 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 77.5 t60 -53.68 -29.95 41.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.522 178.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.7 -49.83 74.24 Favored Glycine 0 C--O 1.226 -0.35 0 C-N-CA 120.476 -0.869 . . . . 0.0 111.968 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.89 -40.57 54.17 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.209 0.528 . . . . 0.0 111.048 176.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -66.3 -38.6 88.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.423 -172.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' A' ' 21' ' ' GLU . . . -80.77 -38.2 28.97 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.627 -177.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -69.31 149.13 97.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.719 -174.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -79.83 -1.98 39.0 Favored 'Cis proline' 0 CA--C 1.533 0.469 0 C-N-CA 124.488 -1.047 . . . . 0.0 113.832 4.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.488 ' HB2' ' O ' ' A' ' 18' ' ' ALA . 7.9 mm-40 -65.69 -165.62 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.442 0 CA-C-O 121.043 0.449 . . . . 0.0 111.691 -178.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.485 ' O ' ' HB1' ' A' ' 18' ' ' ALA . 9.7 tp10 -58.29 129.73 43.37 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.186 0.517 . . . . 0.0 111.752 -175.712 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -108.92 -3.25 31.92 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.161 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 38.8 m -92.68 162.91 13.96 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.985 0.422 . . . . 0.0 110.685 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -179.76 -174.31 45.58 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.099 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -123.87 148.92 46.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.725 0.297 . . . . 0.0 110.604 -176.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.5 mt -94.92 120.62 35.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.902 178.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.538 HD22 ' HB2' ' A' ' 71' ' ' ALA . 72.8 mt -105.25 132.2 51.75 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.327 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.87 -154.24 10.54 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.083 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.03 159.98 40.02 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.583 HG12 ' HA ' ' A' ' 34' ' ' ASP . 25.9 t -98.46 117.58 43.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-O 121.398 0.618 . . . . 0.0 109.959 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.6 m -81.37 111.4 17.7 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.755 -175.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 t70 64.83 7.02 3.63 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.046 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.583 ' HA ' HG12 ' A' ' 31' ' ' VAL . 26.4 t70 65.13 17.5 11.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.2 -175.634 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.2 -42.89 2.91 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.537 177.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.536 ' OD2' ' HD2' ' A' ' 2' ' ' LYS . 42.3 t0 -145.96 158.26 43.87 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.328 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 31' ' ' VAL . 8.6 p30 -102.77 147.21 27.14 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.08 0.467 . . . . 0.0 110.992 -174.635 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -116.55 147.68 41.59 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.575 0.703 . . . . 0.0 110.213 174.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 55.7 t -97.61 131.21 45.04 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.25 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.155 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.18 -23.11 6.89 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.308 -177.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -153.1 145.23 23.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.873 0.368 . . . . 0.0 110.944 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.6 mt -101.25 131.96 47.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.813 177.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -118.4 122.22 42.26 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.687 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -89.76 139.82 30.19 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.871 176.041 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.458 ' HB3' ' HG2' ' A' ' 22' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.488 0 CA-C-O 121.015 0.436 . . . . 0.0 110.928 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.478 0.939 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -62.37 -43.44 98.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.135 -178.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.83 -35.75 81.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.434 179.248 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.96 -36.89 80.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.916 0.388 . . . . 0.0 110.773 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.22 -41.35 77.14 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 173.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -55.61 -48.87 74.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.485 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.443 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -59.71 -53.55 56.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.052 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.42 -32.62 74.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.824 0.345 . . . . 0.0 111.199 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.538 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -65.51 -51.43 60.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.842 178.686 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -65.71 -31.64 72.76 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 122.957 0.161 . . . . 0.0 110.864 -178.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 38.9 mt-10 -57.83 -43.63 85.92 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.071 0.462 . . . . 0.0 111.062 172.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -87.98 -9.45 53.49 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.784 -177.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.61 28.09 52.56 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.777 -177.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 64.7 mt -120.83 179.26 4.41 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -177.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -141.34 -179.87 6.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.786 0.327 . . . . 0.0 110.173 173.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.0 t -81.84 106.84 13.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.283 -178.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.1 m -93.45 -23.18 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.041 0.448 . . . . 0.0 111.121 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -165.59 177.28 40.9 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.13 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.2 t -135.54 156.66 38.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.427 ' HB3' ' HB ' ' A' ' 108' ' ' VAL . 53.8 p90 -140.06 139.15 35.85 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.257 0.551 . . . . 0.0 111.261 179.241 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -147.49 131.61 17.33 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.142 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.499 ' HB3' HG13 ' A' ' 110' ' ' VAL . 24.3 p -106.39 149.71 26.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.63 -173.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -162.11 143.82 8.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.291 173.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.511 ' HB3' ' O ' ' A' ' 112' ' ' VAL . 94.6 Cg_endo -92.18 69.65 0.8 Allowed 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 123.516 2.811 . . . . 0.0 113.37 -175.194 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 6.6 p-10 -160.84 154.72 22.56 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 177.134 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 87' ' ' ASP . 72.8 m80 66.56 157.28 0.13 Allowed Pre-proline 0 N--CA 1.468 0.461 0 O-C-N 123.898 0.749 . . . . 0.0 110.94 -174.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -73.17 74.09 3.09 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.593 2.195 . . . . 0.0 111.823 176.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 44.83 72.51 0.2 Allowed 'General case' 0 N--CA 1.465 0.301 0 O-C-N 124.1 0.875 . . . . 0.0 111.887 -179.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.533 ' HB2' ' HD2' ' A' ' 92' ' ' PRO . 19.3 ptp180 -162.88 161.76 18.82 Favored Pre-proline 0 N--CA 1.451 -0.415 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.179 -178.405 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.533 ' HD2' ' HB2' ' A' ' 91' ' ' ARG . 44.8 Cg_endo -69.17 146.37 63.62 Favored 'Trans proline' 0 C--O 1.238 0.5 0 C-N-CA 122.492 2.128 . . . . 0.0 112.932 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.0 m -97.48 -168.85 1.75 Allowed 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.06 173.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -65.26 -47.35 77.01 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.911 -0.315 . . . . 0.0 110.546 -179.322 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.3 m -60.96 -38.76 87.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.428 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -56.32 -45.29 80.38 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.295 0.569 . . . . 0.0 109.976 177.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.3 tt -70.49 -43.56 69.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.645 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 54.3 mt-10 -64.31 -26.29 68.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.104 -174.142 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -95.26 4.39 53.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.757 0.313 . . . . 0.0 111.373 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -92.71 68.41 4.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.414 0.626 . . . . 0.0 110.55 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.75 4.88 53.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.072 -178.723 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -126.92 85.66 60.51 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.518 -175.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.69 161.16 47.04 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.613 2.208 . . . . 0.0 111.994 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.88 -19.64 52.46 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.728 -177.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -90.64 154.2 19.75 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 176.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 90.5 m -91.84 124.5 36.01 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.428 ' CE2' ' HB2' ' A' ' 125' ' ' LEU . 47.6 m-85 -97.97 108.93 21.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.987 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.427 ' HB ' ' HB3' ' A' ' 82' ' ' TYR . 61.6 t -101.44 120.77 51.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.083 0.468 . . . . 0.0 109.985 177.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.2 mt -119.45 125.71 74.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.741 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.793 ' HB ' HD23 ' A' ' 120' ' ' LEU . 4.1 p -118.55 131.17 72.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-O 121.138 0.494 . . . . 0.0 109.757 178.661 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.5 t -82.17 105.98 13.7 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.511 ' O ' ' HB3' ' A' ' 86' ' ' PRO . 60.5 t -110.58 114.8 48.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -95.62 59.31 2.09 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.445 0.641 . . . . 0.0 109.758 -173.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.3 t70 58.69 81.96 0.15 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 114.325 -1.307 . . . . 0.0 111.103 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.454 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 87.84 -22.59 17.07 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.618 179.034 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -107.52 100.95 37.05 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-O 120.735 0.303 . . . . 0.0 111.624 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.454 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 3.4 Cg_exo -75.53 115.53 4.24 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.84 2.36 . . . . 0.0 111.135 176.117 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -83.8 -72.5 0.46 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.214 -175.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -139.94 151.37 45.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.076 0.465 . . . . 0.0 111.773 -175.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.793 HD23 ' HB ' ' A' ' 110' ' ' VAL . 37.9 mt -101.56 129.73 47.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.939 175.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 20.9 p -131.55 131.68 43.54 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.763 0.316 . . . . 0.0 110.883 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.45 133.58 52.9 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 176.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.52 ' CZ3' ' HB2' ' A' ' 134' ' ' ARG . 61.2 m95 -126.79 139.88 52.78 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.339 -172.052 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -106.62 132.38 52.69 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.504 174.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.547 HD11 ' HA ' ' A' ' 129' ' ' ARG . 59.0 tp -80.68 137.56 36.32 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.437 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -67.57 150.16 97.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.801 174.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -52.25 -32.74 51.99 Favored 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 123.044 2.496 . . . . 0.0 113.7 -175.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.51 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 27.9 t70 -98.3 14.23 28.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.659 0.266 . . . . 0.0 110.919 -176.646 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.547 ' HA ' HD11 ' A' ' 125' ' ' LEU . 6.7 ptp180 51.24 29.41 4.9 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.439 1.096 . . . . 0.0 112.656 174.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.7 p -94.81 -26.61 16.15 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -178.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -153.84 169.18 24.03 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.044 0.45 . . . . 0.0 111.344 178.015 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -113.47 152.08 30.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.607 177.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -126.5 136.36 52.5 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 169.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.52 ' HB2' ' CZ3' ' A' ' 123' ' ' TRP . 9.9 ttt180 -75.57 146.08 40.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.24 0.543 . . . . 0.0 111.97 -172.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -128.74 154.76 46.03 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 176.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -98.39 148.17 23.96 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.964 0.411 . . . . 0.0 110.45 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.651 HG21 HD21 ' A' ' 8' ' ' LEU . 3.8 mp -84.25 128.71 38.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.925 -178.148 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.408 HG23 ' HG3' ' A' ' 2' ' ' LYS . 15.6 m -109.31 144.79 16.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.735 179.374 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 139' ' ' ARG . 4.4 mpt_? -83.37 133.39 47.46 Favored Pre-proline 0 N--CA 1.446 -0.653 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 176.188 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.02 158.39 47.92 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.475 2.117 . . . . 0.0 112.175 -175.027 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.243 179.456 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.429 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -96.97 118.77 34.12 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.893 0.378 . . . . 0.0 111.125 -177.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.442 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 10.9 t -160.15 173.16 16.2 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 175.615 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.466 ' OG1' HG12 ' A' ' 7' ' ' ILE . 37.7 p -94.1 148.18 34.71 Favored Pre-proline 0 C--N 1.321 -0.665 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.698 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.71 -25.84 80.35 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.97 2.446 . . . . 0.0 111.694 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.429 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 33.0 t70 -61.93 -42.5 99.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.481 176.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.549 ' O ' HG13 ' A' ' 11' ' ' ILE . 44.6 mm -61.86 -44.22 98.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.146 176.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.58 HD11 HG21 ' A' ' 137' ' ' ILE . 83.3 mt -56.29 -44.1 79.5 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.008 178.591 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -65.37 -43.85 89.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.305 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 48.0 mt-30 -61.38 -36.16 79.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.119 178.654 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.549 HG13 ' O ' ' A' ' 7' ' ' ILE . 80.1 mt -59.17 -45.43 92.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.751 0.31 . . . . 0.0 110.236 175.527 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.02 -49.17 78.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.764 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 65.3 t -63.34 -48.5 87.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 -178.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.539 ' HB3' ' HD3' ' A' ' 44' ' ' ARG . 18.7 m-70 -66.65 -27.83 67.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.345 -179.575 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.2 -43.16 81.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.876 176.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.04 -28.35 63.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.19 0.519 . . . . 0.0 110.237 176.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -65.55 -38.56 89.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.632 175.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.82 -42.0 91.13 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.992 -1.003 . . . . 0.0 111.108 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -63.96 151.54 89.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.741 178.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -78.93 -3.88 36.28 Favored 'Cis proline' 0 C--O 1.234 0.312 0 C-N-CA 124.071 -1.22 . . . . 0.0 113.309 2.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -68.96 -176.86 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.089 0.471 . . . . 0.0 111.142 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -81.33 143.68 32.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.331 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -122.64 -110.37 2.03 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.358 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.3 p 50.43 -173.51 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.302 1.041 . . . . 0.0 112.562 -177.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 145.65 -166.81 27.73 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.023 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -111.44 157.08 20.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.961 0.41 . . . . 0.0 111.384 -176.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.0 mt -99.66 128.83 45.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.088 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.539 HD22 ' HB2' ' A' ' 71' ' ' ALA . 84.1 mt -104.47 138.42 40.88 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.02 0.438 . . . . 0.0 110.609 -177.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.65 -149.89 8.45 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.507 ' HA ' ' OD1' ' A' ' 77' ' ' ASP . 0.7 OUTLIER -137.52 145.31 42.8 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 117.261 0.531 . . . . 0.0 111.464 175.939 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.5 t -90.8 124.02 43.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.318 176.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.9 p -72.87 173.84 8.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.109 0.48 . . . . 0.0 111.278 -174.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -84.88 -6.77 59.35 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.312 -176.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -100.59 -29.46 12.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.557 179.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.62 -2.35 4.51 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 119.999 -1.096 . . . . 0.0 112.958 178.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -78.32 154.57 30.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.001 0.429 . . . . 0.0 110.914 176.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.523 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 84.6 m-20 -115.48 123.77 49.4 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.135 -0.938 . . . . 0.0 108.851 176.128 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -115.76 139.6 50.01 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.717 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.8 t -105.67 123.12 59.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.403 -175.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.27 -25.11 7.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.804 -177.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.498 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -144.02 163.46 33.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.807 0.336 . . . . 0.0 111.384 -176.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.1 mt -123.07 152.18 41.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.12 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -134.62 121.93 21.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.743 0.306 . . . . 0.0 110.289 176.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.539 ' HD3' ' HB3' ' A' ' 14' ' ' HIS . 76.1 mtm180 -109.07 132.12 54.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.714 176.01 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.607 0 CA-C-O 121.225 0.536 . . . . 0.0 110.712 177.741 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 C--O 1.234 0.238 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 94.2 t80 -56.27 -51.57 67.65 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.261 -177.065 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 46.1 mtp85 -61.25 -36.89 81.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.561 0.22 . . . . 0.0 111.493 -177.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.86 -44.13 73.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.739 0.304 . . . . 0.0 110.709 178.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.441 ' HB1' HD21 ' A' ' 28' ' ' LEU . . . -64.5 -39.53 93.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.208 176.365 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -61.76 -45.86 92.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.605 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.545 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -61.68 -53.31 57.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.625 178.634 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.91 -32.37 71.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.975 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.539 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -64.27 -51.68 62.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.184 176.54 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -36.6 78.56 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 123.234 0.334 . . . . 0.0 110.657 179.197 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 99.3 mt-10 -59.75 -39.33 84.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.22 176.548 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -93.17 -3.64 53.55 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.049 -178.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.59 23.13 60.8 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.462 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.0 mt -114.24 175.4 5.49 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 122.613 0.365 . . . . 0.0 110.025 -179.149 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.507 ' OD1' ' HA ' ' A' ' 30' ' ' THR . 5.1 p-10 -137.78 -175.07 3.96 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 174.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.7 t -98.05 107.99 21.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.796 0.332 . . . . 0.0 110.278 -178.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.523 ' HB ' ' HB3' ' A' ' 37' ' ' ASN . 29.6 m -93.41 -13.45 8.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.757 -176.281 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.415 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -178.79 -174.64 45.18 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 120.03 -1.081 . . . . 0.0 112.722 -179.332 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.1 t -136.8 154.78 32.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.51 ' OH ' ' HG2' ' A' ' 44' ' ' ARG . 18.6 p90 -127.28 136.29 51.76 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.066 176.749 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.406 ' HB2' HG12 ' A' ' 109' ' ' ILE . 57.8 m170 -110.88 143.56 41.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.701 -176.488 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.4 m -105.73 126.58 52.32 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -117.72 154.2 50.91 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.623 -179.171 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -74.78 -161.78 0.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 123.245 2.63 . . . . 0.0 110.758 170.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -49.14 -33.06 11.23 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 176.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -53.35 151.32 10.2 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.941 178.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -37.39 145.33 0.12 Allowed 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 124.867 3.712 . . . . 0.0 115.557 -174.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.11 7.04 29.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.526 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.91 148.1 34.17 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.248 175.439 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.45 122.97 12.56 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.843 2.362 . . . . 0.0 112.713 -177.008 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.3 t -88.69 -174.91 4.73 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.509 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -57.75 -48.8 78.61 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -173.385 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.2 m -74.98 -33.65 61.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.113 0.482 . . . . 0.0 110.682 -177.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -62.94 -40.4 97.53 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.729 ' HG ' ' HE1' ' A' ' 132' ' ' PHE . 7.6 tt -69.24 -37.55 78.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.382 177.193 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 37.9 mt-10 -60.63 -32.69 71.84 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -177.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -87.67 -6.73 58.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.802 0.334 . . . . 0.0 111.577 -178.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.0 76.77 10.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.5 0.667 . . . . 0.0 109.717 175.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.438 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 6.2 t -98.6 -13.41 20.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.036 -175.173 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -116.48 86.54 18.4 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.892 -176.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' A' ' 101' ' ' THR . 18.8 Cg_exo -65.3 172.83 7.06 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.951 2.434 . . . . 0.0 112.466 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 95.66 -35.18 4.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 111.576 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.415 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 35.8 m-85 -75.57 149.23 38.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.793 0.33 . . . . 0.0 110.117 175.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.7 m -92.04 123.34 35.33 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 177.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -100.55 115.43 30.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.931 0.396 . . . . 0.0 110.852 -177.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.469 ' O ' ' HA ' ' A' ' 82' ' ' TYR . 58.7 t -104.58 126.38 59.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.191 176.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.406 HG12 ' HB2' ' A' ' 83' ' ' HIS . 54.4 mt -122.78 131.42 73.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 120.741 0.305 . . . . 0.0 110.227 -178.097 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.0 p -127.15 128.28 70.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.32 0.581 . . . . 0.0 111.099 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.4 m -87.89 111.88 21.92 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.523 175.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.501 ' HA ' ' HA ' ' A' ' 117' ' ' PRO . 40.8 t -107.27 115.65 49.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.631 179.406 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -94.0 92.08 7.18 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.03 -177.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.5 t70 54.14 49.0 19.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.98 177.179 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 91.94 0.61 71.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.832 177.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -117.22 99.51 52.75 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.802 0.334 . . . . 0.0 110.944 177.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.501 ' HA ' ' HA ' ' A' ' 112' ' ' VAL . 14.1 Cg_exo -69.45 117.02 4.81 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.892 2.394 . . . . 0.0 111.318 178.386 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -100.64 -69.96 0.75 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.921 -177.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -102.23 121.92 43.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.895 -176.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.6 tt -120.45 121.35 38.31 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 175.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.0 m -136.67 157.04 47.7 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.913 0.387 . . . . 0.0 110.974 -175.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -122.3 139.02 54.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.192 0.52 . . . . 0.0 109.943 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -132.02 145.16 51.27 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.483 -172.117 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -108.75 132.35 54.05 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.654 173.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 67.2 tp -88.22 130.31 35.11 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.95 144.8 90.06 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.875 176.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.92 -30.06 84.45 Favored 'Trans proline' 0 N--CA 1.473 0.28 0 C-N-CA 122.79 2.327 . . . . 0.0 112.584 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -88.44 0.7 55.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.463 -179.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 57.14 29.94 17.46 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.404 -176.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 25.8 t -68.19 -46.17 71.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.978 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -165.21 -177.52 4.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.895 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.729 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 63.5 m-85 -106.59 146.3 30.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.838 176.043 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -124.11 136.72 54.42 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 174.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -57.36 138.68 54.63 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.12 -178.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -127.44 148.95 50.3 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 174.263 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -96.62 146.22 25.04 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.757 -177.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.58 HG21 HD11 ' A' ' 8' ' ' LEU . 4.1 mp -85.32 114.93 26.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 175.545 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 10.4 m -110.91 150.53 13.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.598 -178.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 46.9 mtt180 -84.38 152.39 60.89 Favored Pre-proline 0 C--N 1.315 -0.892 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.529 -177.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 3' ' ' THR . 45.7 Cg_exo -55.52 102.84 0.1 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.353 2.035 . . . . 0.0 112.567 178.292 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.525 174.66 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.427 ' HB2' HG21 ' A' ' 106' ' ' THR . 22.4 ttt . . . . . 0 N--CA 1.476 0.843 0 CA-C-O 121.171 0.51 . . . . 0.0 111.265 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -90.24 137.21 32.53 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 170.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.49 HG21 HD21 ' A' ' 8' ' ' LEU . 8.9 t -154.73 149.32 26.39 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 120.87 0.367 . . . . 0.0 110.67 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.7 p -99.27 153.14 37.93 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.517 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.55 -35.09 65.55 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 123.378 2.718 . . . . 0.0 112.983 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 5.1 p-10 -65.04 -38.33 90.52 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.098 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.559 ' O ' HG13 ' A' ' 11' ' ' ILE . 40.4 mm -70.13 -44.61 77.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.746 0.308 . . . . 0.0 110.296 178.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.49 HD21 HG21 ' A' ' 3' ' ' THR . 88.2 mt -54.76 -43.26 72.58 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.588 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.642 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 24.1 t70 -68.47 -42.89 78.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.104 0.478 . . . . 0.0 110.39 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 50.3 mt-30 -59.93 -30.31 68.97 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.268 177.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' ' 7' ' ' ILE . 76.4 mt -65.01 -50.48 74.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.458 0.171 . . . . 0.0 110.648 176.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.642 ' HG2' ' O ' ' A' ' 9' ' ' ASP . 4.8 ptm180 -65.61 -35.07 79.73 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 120.625 0.25 . . . . 0.0 110.792 -179.189 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 9' ' ' ASP . 93.6 t -65.28 -38.98 83.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 120.768 0.318 . . . . 0.0 110.554 176.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -65.22 -28.83 69.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.036 177.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.16 -40.7 96.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.344 174.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.52 -26.41 60.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.886 0.375 . . . . 0.0 110.48 176.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -74.16 -38.9 63.56 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.684 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.88 -44.66 72.81 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.938 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -69.03 149.77 97.71 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.22 -178.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -79.79 -2.52 39.13 Favored 'Cis proline' 0 C--N 1.345 0.365 0 C-N-CA 124.077 -1.218 . . . . 0.0 113.812 5.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -65.79 164.14 15.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.218 0.532 . . . . 0.0 111.342 -177.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -93.41 97.94 10.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.735 -177.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -151.18 142.4 9.48 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.697 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.2 p -102.48 -164.59 1.1 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 175.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.589 ' HA3' ' CZ ' ' A' ' 82' ' ' TYR . . . -141.99 150.02 21.67 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.208 -0.996 . . . . 0.0 112.214 178.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -109.7 148.16 31.87 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.833 0.349 . . . . 0.0 110.159 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.6 mt -103.88 113.96 27.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.04 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.512 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 66.7 mt -107.46 132.94 52.66 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 178.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.554 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . -169.02 -160.08 16.26 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 119.304 -1.427 . . . . 0.0 114.069 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.469 ' HB ' ' HG3' ' A' ' 147' ' ' GLU . 32.5 p -117.28 160.09 21.65 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.193 -0.503 . . . . 0.0 110.792 -176.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.4 t -90.81 115.35 29.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.0 p -69.33 162.92 26.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.476 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -63.4 -19.18 64.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.303 -176.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -75.31 -17.76 60.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.12 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.28 -2.06 59.23 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.485 -173.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -92.68 169.01 10.83 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -102.27 143.5 31.97 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.057 -0.402 . . . . 0.0 111.734 -176.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.554 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 66.8 ttt180 -115.6 127.59 55.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.863 170.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 55.1 t -81.93 121.68 35.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.02 -22.58 6.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.163 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.512 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -133.8 148.61 51.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.432 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.0 mt -127.0 142.1 51.63 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.806 -177.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.401 ' NE2' ' OD2' ' A' ' 62' ' ' ASP . 14.1 t60 -150.37 122.65 8.38 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.943 178.411 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.466 ' HA ' ' HA2' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -91.53 139.65 30.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.525 -178.276 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.624 ' HA ' ' HB3' ' A' ' 62' ' ' ASP . . . -76.17 63.84 1.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.351 0.596 . . . . 0.0 110.949 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.0 m -152.01 132.36 13.71 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 177.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -71.09 116.45 11.4 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.111 0.481 . . . . 0.0 111.572 -171.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -116.38 89.86 3.2 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.301 172.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -138.36 106.59 5.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.14 0.495 . . . . 0.0 110.939 -175.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.7 m -92.48 178.26 5.87 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 172.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -79.72 84.02 5.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.335 0.588 . . . . 0.0 110.143 177.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -106.18 138.8 41.73 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.121 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -97.28 90.17 5.01 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.163 0.506 . . . . 0.0 110.73 -176.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.3 t -161.59 169.69 21.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.379 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -83.32 144.5 29.65 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.199 0.524 . . . . 0.0 110.824 -178.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.14 150.61 21.31 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.58 -173.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -68.29 -41.47 80.94 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 172.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -158.86 -68.58 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.73 174.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.485 ' HG ' ' N ' ' A' ' 60' ' ' THR . 36.5 tp -170.2 170.09 7.48 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 175.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.485 ' N ' ' HG ' ' A' ' 59' ' ' LEU . 10.1 t -96.95 130.53 44.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.134 0.492 . . . . 0.0 109.873 176.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -160.38 -38.45 0.05 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.018 -176.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.624 ' HB3' ' HA ' ' A' ' 45' ' ' ALA . 5.9 m-20 67.66 13.04 9.15 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.412 175.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -73.76 165.93 24.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.223 173.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -53.02 -46.1 68.24 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -64.33 -40.69 96.4 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-O 120.907 0.384 . . . . 0.0 111.243 -178.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.92 -38.41 90.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.613 176.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.19 -34.81 75.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.382 176.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.64 -46.3 90.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.363 176.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.52 -45.52 86.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.884 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.44 -33.34 74.61 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.801 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.46 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -61.65 -49.4 76.69 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.135 175.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -62.78 -36.45 83.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.005 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.567 ' O ' ' HB3' ' A' ' 153' ' ' HIS . 14.6 mm-40 -58.93 -34.66 71.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.242 0.544 . . . . 0.0 111.565 175.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -92.49 -4.12 54.1 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.548 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.532 ' HA3' ' O ' ' A' ' 151' ' ' HIS . . . 76.48 28.38 59.74 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.448 -178.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.9 mt -125.64 -173.19 2.77 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.441 ' HA ' ' HB1' ' A' ' 71' ' ' ALA . 3.4 p-10 -147.78 176.27 10.26 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 169.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.4 t -80.83 105.57 10.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.267 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.4 m -95.3 -10.28 9.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.307 -176.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.471 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -174.14 176.64 46.55 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.434 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 107' ' ' TYR . 4.0 t -139.39 156.64 27.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.589 ' CZ ' ' HA3' ' A' ' 25' ' ' GLY . 35.7 p90 -144.57 147.85 33.67 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.002 0.43 . . . . 0.0 110.711 177.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -147.29 142.47 27.2 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.403 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.1 m -106.11 141.5 37.38 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.016 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.478 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -144.16 143.53 22.8 Favored Pre-proline 0 C--N 1.321 -0.635 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.866 174.311 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 2.1 Cg_endo -83.43 63.14 7.48 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 123.087 2.525 . . . . 0.0 111.589 178.109 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -167.21 121.13 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.387 -0.824 . . . . 0.0 108.965 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 51.7 m80 66.25 141.87 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 O-C-N 124.055 0.847 . . . . 0.0 110.234 -168.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.566 ' O ' ' HB2' ' A' ' 111' ' ' SER . 37.5 Cg_exo -58.94 -56.07 1.62 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.63 2.22 . . . . 0.0 112.994 -178.054 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.475 ' HB1' ' OG1' ' A' ' 121' ' ' THR . . . -165.32 83.17 0.35 Allowed 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.414 -0.514 . . . . 0.0 112.242 -176.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.401 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 6.6 ppt_? -167.77 148.12 4.6 Favored Pre-proline 0 N--CA 1.45 -0.449 0 CA-C-N 115.419 -0.81 . . . . 0.0 108.972 170.056 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 91' ' ' ARG . 24.9 Cg_exo -63.67 149.84 89.89 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.827 2.351 . . . . 0.0 112.586 -178.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.2 t -97.25 -170.49 2.03 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.07 -49.46 36.28 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.693 -175.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.58 ' O ' ' HG2' ' A' ' 99' ' ' GLU . 15.7 m -67.05 -49.21 65.92 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -174.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -67.58 -30.0 69.5 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.849 -177.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.576 ' HG ' ' CE1' ' A' ' 132' ' ' PHE . 7.6 tt -64.12 -43.0 96.62 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.484 0.659 . . . . 0.0 109.25 171.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -68.6 -32.77 72.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.755 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' A' ' 95' ' ' THR . 7.9 mm-40 -82.5 1.02 39.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.304 -178.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.72 94.28 3.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.16 0.505 . . . . 0.0 110.644 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.615 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 11.1 m -83.25 -18.12 40.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.805 -176.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.412 ' HB3' ' CD1' ' A' ' 105' ' ' PHE . 81.7 m-85 -110.12 88.48 7.11 Favored Pre-proline 0 C--N 1.327 -0.373 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -173.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.615 ' HD3' ' O ' ' A' ' 101' ' ' THR . 13.2 Cg_exo -70.62 -0.69 8.02 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.958 2.439 . . . . 0.0 112.714 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -105.53 5.97 41.3 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.246 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.471 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 2.6 m-85 -104.93 153.24 21.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.808 0.337 . . . . 0.0 110.444 -179.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.427 HG21 ' HB2' ' A' ' 1' ' ' MET . 41.4 m -92.71 123.0 35.67 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.455 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 65.4 m-85 -101.23 117.12 34.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.465 -177.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.585 ' HB ' ' HB3' ' A' ' 82' ' ' TYR . 64.2 t -96.32 126.25 49.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-O 121.292 0.568 . . . . 0.0 110.345 178.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.3 mm -109.67 123.76 65.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 176.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.475 ' CG2' ' HG ' ' A' ' 120' ' ' LEU . 2.4 p -128.9 137.66 56.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 121.284 0.564 . . . . 0.0 110.538 -174.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.566 ' HB2' ' O ' ' A' ' 89' ' ' PRO . 34.6 t -80.53 106.8 12.81 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.595 -178.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 116' ' ' ALA . 69.1 t -125.8 114.43 39.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 172.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 49.2 ttp85 -107.01 92.9 4.27 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.165 -176.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 33.7 t70 60.43 29.92 19.38 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.085 176.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 119.1 -19.11 10.19 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.911 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . . . -91.1 110.77 44.58 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.668 0.234 . . . . 0.0 111.314 -179.087 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.426 ' HB2' ' HB2' ' A' ' 12' ' ' ARG . 1.7 Cg_endo -83.89 115.24 2.05 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 123.348 2.699 . . . . 0.0 112.003 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.538 ' HB3' ' HB3' ' A' ' 111' ' ' SER . 43.2 tt0 -95.71 -74.26 0.56 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.721 -174.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.429 ' H ' ' HB3' ' A' ' 111' ' ' SER . . . -137.8 155.37 49.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.614 0.245 . . . . 0.0 111.273 -175.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.475 ' HG ' ' CG2' ' A' ' 110' ' ' VAL . 5.0 mp -119.25 144.17 46.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.719 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.475 ' OG1' ' HB1' ' A' ' 90' ' ' ALA . 28.7 p -138.41 143.31 39.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.702 -0.227 . . . . 0.0 110.512 176.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.75 134.35 52.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.862 0.363 . . . . 0.0 110.387 178.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -129.01 143.5 50.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.946 -175.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -108.92 129.06 55.42 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.7 176.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.524 HD23 ' HA ' ' A' ' 103' ' ' PRO . 55.2 tp -81.12 134.53 35.66 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.7 142.27 94.64 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.325 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -59.88 -26.37 82.1 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.909 2.406 . . . . 0.0 112.601 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -86.51 -11.13 52.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.306 176.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 129' ' ' ARG . 12.4 ttp180 55.59 71.76 0.53 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.87 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 70.6 m -118.14 -32.81 4.6 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.114 172.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.544 ' HA ' HD11 ' A' ' 97' ' ' LEU . 11.4 pt-20 -162.59 -178.89 6.51 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.567 -179.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.576 ' CE1' ' HG ' ' A' ' 97' ' ' LEU . 46.5 m-85 -106.39 154.04 21.38 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.078 178.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -124.27 145.88 49.11 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 175.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 10.8 tpt85 -82.23 133.62 35.26 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 121.257 0.551 . . . . 0.0 110.88 -173.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -117.51 149.55 40.42 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 175.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -86.4 154.53 21.11 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -176.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 47.7 mm -82.92 112.76 21.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 16.5 m -116.99 134.36 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.798 0 CA-C-O 121.65 0.738 . . . . 0.0 111.333 -176.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 67.8 mtm180 -83.55 145.63 48.31 Favored Pre-proline 0 C--N 1.313 -1.0 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.467 174.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -58.27 144.25 96.04 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.062 1.841 . . . . 0.0 111.102 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.418 ' C ' ' H ' ' A' ' 143' ' ' GLU . 8.7 m-20 -52.91 142.69 33.84 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.144 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -71.96 29.51 0.25 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.134 2.556 . . . . 0.0 113.689 -172.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.418 ' H ' ' C ' ' A' ' 141' ' ' ASP . 40.3 mt-10 -139.78 -56.21 0.56 Allowed 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.503 179.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . 57.35 93.32 0.05 OUTLIER Pre-proline 0 N--CA 1.466 0.349 0 O-C-N 123.928 0.768 . . . . 0.0 112.141 176.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.5 -174.52 0.56 Allowed 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 123.122 2.548 . . . . 0.0 112.769 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.496 ' O ' HD12 ' A' ' 146' ' ' LEU . 3.0 pp -65.1 143.02 58.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.745 -177.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.469 ' HG3' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -87.15 162.84 17.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.417 176.621 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 -123.19 -14.72 7.44 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.064 -175.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -110.31 -22.95 11.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.163 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -64.16 133.19 52.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.193 0.52 . . . . 0.0 111.463 -177.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.532 ' O ' ' HA3' ' A' ' 75' ' ' GLY . 70.0 m80 -116.48 169.45 9.31 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 174.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -133.72 110.7 10.0 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.798 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' HIS . . . . . 0.567 ' HB3' ' O ' ' A' ' 73' ' ' GLU . 37.1 t-80 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.389 -0.815 . . . . 0.0 109.588 176.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ttt . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.878 0.371 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -108.18 126.04 52.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.232 174.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.481 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 14.0 t -157.26 169.52 24.58 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.477 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 78.3 p -104.0 152.52 39.09 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.012 -176.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.36 -28.54 86.99 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.78 2.32 . . . . 0.0 111.808 176.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.4 -49.42 76.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.755 177.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.541 HG23 HD11 ' A' ' 42' ' ' LEU . 35.9 mm -63.66 -42.91 97.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.336 178.066 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.1 mt -58.28 -44.97 88.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.325 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.675 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 8.7 t70 -66.5 -38.86 88.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.13 0.49 . . . . 0.0 110.226 -178.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -60.4 -37.77 81.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.277 175.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 7' ' ' ILE . 83.0 mt -63.85 -49.08 83.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.304 178.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.675 ' HG2' ' O ' ' A' ' 9' ' ' ASP . 4.9 ptm180 -62.33 -32.68 73.48 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.548 0.213 . . . . 0.0 111.116 -177.012 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 9' ' ' ASP . 97.6 t -67.83 -34.16 65.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.684 0.278 . . . . 0.0 110.686 178.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -63.36 -28.7 70.17 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.005 -177.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.549 ' HA3' HG21 ' A' ' 112' ' ' VAL . . . -65.71 -45.92 86.35 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.177 178.284 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.97 -30.62 62.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.296 0.57 . . . . 0.0 110.607 178.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -58.59 -38.58 78.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.52 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.44 20.08 11.93 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.707 -175.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.504 ' CE2' ' HA ' ' A' ' 114' ' ' ASP . 16.6 t80 -41.84 129.79 2.49 Favored Pre-proline 0 N--CA 1.476 0.847 0 C-N-CA 122.922 0.489 . . . . 0.0 112.003 -177.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 19' ' ' TYR . 72.1 Cg_endo -79.96 -21.24 18.05 Favored 'Cis proline' 0 C--N 1.347 0.478 0 C-N-CA 123.026 -1.656 . . . . 0.0 112.093 -0.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 178.31 134.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.37 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -118.59 2.23 11.73 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 172.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.548 ' HA3' ' O ' ' A' ' 45' ' ' ALA . . . 147.48 153.11 5.83 Favored Glycine 0 N--CA 1.437 -1.243 0 CA-C-N 113.924 -1.489 . . . . 0.0 110.583 -175.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.527 ' HB3' ' O ' ' A' ' 82' ' ' TYR . 82.1 m -93.23 -164.39 1.17 Allowed 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.507 ' HA3' ' CZ ' ' A' ' 82' ' ' TYR . . . -137.7 155.05 22.91 Favored Glycine 0 N--CA 1.441 -1.03 0 C-N-CA 120.039 -1.077 . . . . 0.0 111.969 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -107.81 148.23 29.81 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.975 -0.379 . . . . 0.0 109.975 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.3 mt -93.99 115.17 27.49 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.479 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.614 HD22 ' HB2' ' A' ' 71' ' ' ALA . 59.4 mt -103.76 132.62 49.85 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -178.196 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 178.24 -151.1 10.27 Favored Glycine 0 N--CA 1.441 -1.021 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.485 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 0.9 OUTLIER -136.8 158.42 44.48 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 120.879 0.371 . . . . 0.0 111.08 179.588 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.9 t -89.6 124.43 42.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 51.1 p -70.34 164.95 23.41 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.981 -176.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.94 -21.19 66.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.735 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -71.38 -34.27 70.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.332 176.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.22 -3.8 20.36 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.615 -176.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -88.19 153.53 21.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.888 0.375 . . . . 0.0 110.444 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.441 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 78.7 m-20 -94.33 128.71 40.99 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.675 -175.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 30' ' ' THR . 33.4 ptt180 -114.8 143.24 45.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.288 0.565 . . . . 0.0 110.032 176.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.1 t -110.23 121.64 63.42 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.347 -174.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -115.05 -19.2 10.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.603 -178.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.504 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -148.49 166.73 27.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.932 0.396 . . . . 0.0 111.387 -177.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.541 HD11 HG23 ' A' ' 7' ' ' ILE . 97.6 mt -131.92 143.58 50.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.254 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.513 ' HB2' HD11 ' A' ' 28' ' ' LEU . 21.1 t60 -130.86 135.33 47.61 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 174.107 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 44' ' ' ARG . 21.3 ttt180 -86.84 135.91 33.16 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.594 -178.178 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.548 ' O ' ' HA3' ' A' ' 23' ' ' GLY . . . -92.04 85.55 5.55 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 173.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.447 ' HB ' ' HB3' ' A' ' 62' ' ' ASP . 4.6 m -84.99 124.4 31.65 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.193 -172.17 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 73.31 -38.36 0.41 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 114.698 -1.137 . . . . 0.0 111.914 175.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 48' ' ' ARG . 1.0 OUTLIER -107.91 93.77 4.71 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.112 0.482 . . . . 0.0 110.214 175.305 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.412 ' HG3' ' H ' ' A' ' 24' ' ' CYS . 21.7 ttp180 -88.88 -37.99 14.9 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.208 -177.323 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.2 t -131.44 -49.01 0.98 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.176 -175.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.57 ' OE2' ' HB2' ' A' ' 53' ' ' ARG . 14.8 tp10 63.49 -85.53 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.466 -179.157 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 70.99 -36.96 0.38 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.962 0.905 . . . . 0.0 111.572 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.57 ' HB2' ' OE2' ' A' ' 51' ' ' GLU . 4.3 mmp_? -65.02 -71.38 0.19 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.431 -175.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.1 t -106.46 119.01 38.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.382 0.61 . . . . 0.0 111.598 -174.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -131.73 112.13 12.26 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 175.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 56' ' ' ARG . 5.1 ttt85 -130.85 28.03 4.87 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.383 -0.527 . . . . 0.0 111.586 -174.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 85.0 t80 74.03 -42.28 0.51 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.554 0.742 . . . . 0.0 112.385 175.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -65.11 161.8 18.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.701 0.286 . . . . 0.0 110.443 177.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.6 mp -70.79 99.19 1.68 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.6 p -85.52 95.19 9.22 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.047 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 63.58 -154.19 0.32 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.873 -173.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.447 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 35.7 t0 -94.01 71.73 4.02 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.392 0.615 . . . . 0.0 109.436 177.237 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -107.23 -160.97 0.76 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.734 -172.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -57.26 -40.76 78.34 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.937 177.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.457 ' HD2' ' HA ' ' A' ' 65' ' ' ARG . 18.9 mmm180 -60.57 -36.96 79.76 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 120.649 0.262 . . . . 0.0 111.275 -179.269 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.42 -38.31 71.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.87 0.367 . . . . 0.0 110.587 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.94 -42.47 89.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.384 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.75 -41.68 87.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.031 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.629 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -60.64 -52.08 66.65 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.395 176.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.72 -33.56 75.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.765 0.317 . . . . 0.0 111.195 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.614 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -63.98 -52.35 60.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.635 178.068 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -66.21 -31.92 73.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.803 -0.181 . . . . 0.0 110.771 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.629 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 37.9 mt-10 -58.08 -40.23 80.54 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.203 0.525 . . . . 0.0 110.648 174.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -88.0 -2.14 58.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.702 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.78 18.71 62.98 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.658 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.1 mt -116.39 -173.81 2.44 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 -177.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -148.55 173.9 12.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.702 172.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.2 t -84.04 111.36 19.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.951 0.405 . . . . 0.0 110.29 -176.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.441 ' HB ' ' HB3' ' A' ' 37' ' ' ASN . 27.6 m -100.39 -1.76 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.5 -177.167 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.43 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . 173.86 -176.15 46.38 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.019 -1.086 . . . . 0.0 113.015 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 107' ' ' TYR . 4.0 t -140.73 158.29 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.556 ' HB3' ' HB ' ' A' ' 108' ' ' VAL . 42.4 p90 -132.65 137.94 47.16 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.084 175.113 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.676 ' HE1' ' OE1' ' A' ' 99' ' ' GLU . 87.8 m-70 -112.92 149.66 32.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.323 -178.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.3 m -105.7 127.14 52.9 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 176.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -124.66 86.16 55.96 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -175.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.448 ' HA ' ' O ' ' A' ' 112' ' ' VAL . 5.8 Cg_exo -79.51 63.25 8.71 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.431 2.088 . . . . 0.0 109.579 167.353 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -156.06 -72.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.362 -169.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.458 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 57.4 m170 -115.03 144.19 31.6 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 175.277 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 88' ' ' HIS . 15.0 Cg_exo -68.88 95.96 0.5 Allowed 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.89 2.393 . . . . 0.0 113.86 -173.037 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.469 ' HB2' ' HB2' ' A' ' 111' ' ' SER . . . 61.79 25.05 15.02 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.473 -0.785 . . . . 0.0 113.042 168.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -131.07 152.58 80.9 Favored Pre-proline 0 C--N 1.32 -0.69 0 O-C-N 122.059 -0.401 . . . . 0.0 110.334 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -73.85 -175.28 2.04 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.886 2.391 . . . . 0.0 113.841 -174.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.0 m -150.28 -179.45 7.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.061 -0.972 . . . . 0.0 108.837 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -59.89 -48.62 80.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.588 0.232 . . . . 0.0 111.156 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.6 m -61.77 -35.23 77.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.049 0.452 . . . . 0.0 111.171 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -66.6 -41.37 88.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.546 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.2 -39.27 86.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.834 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 44.8 mt-10 -58.49 -27.24 64.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.19 178.422 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.676 ' OE1' ' HE1' ' A' ' 83' ' ' HIS . 67.4 mt-10 -93.27 -13.51 28.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.025 0.441 . . . . 0.0 110.608 178.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.81 57.88 4.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.137 -178.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.58 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 3.1 m -101.42 12.22 37.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.486 0.66 . . . . 0.0 109.979 177.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -109.67 88.05 6.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.241 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.58 ' HD3' ' O ' ' A' ' 101' ' ' THR . 17.3 Cg_exo -66.15 142.17 66.33 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.579 2.186 . . . . 0.0 111.762 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.2 -21.81 43.87 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.978 -0.63 . . . . 0.0 111.575 -178.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.43 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 17.5 m-85 -83.93 141.65 31.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.03 0.443 . . . . 0.0 110.529 179.074 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.0 m -95.84 126.78 41.34 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.884 177.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.424 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 90.0 m-85 -103.32 119.46 38.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.848 0.356 . . . . 0.0 110.512 -175.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.556 ' HB ' ' HB3' ' A' ' 82' ' ' TYR . 61.9 t -102.43 126.02 56.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-O 121.149 0.499 . . . . 0.0 110.372 178.455 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 75.8 mt -114.41 121.43 66.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.886 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.446 HG21 ' HA ' ' A' ' 12' ' ' ARG . 7.2 p -104.0 131.51 52.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.403 0.621 . . . . 0.0 110.792 -179.39 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.469 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 19.4 t -83.64 107.07 15.85 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.351 178.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.549 HG21 ' HA3' ' A' ' 15' ' ' GLY . 61.4 t -118.45 117.3 54.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -113.04 92.04 3.87 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.866 0.365 . . . . 0.0 110.457 -177.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.504 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 37.5 t70 49.48 65.64 1.34 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.812 176.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.453 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 87.93 -16.34 51.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.886 176.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -103.9 105.23 47.3 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 122.43 -0.453 . . . . 0.0 111.391 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.502 ' CB ' ' HB2' ' A' ' 12' ' ' ARG . 3.7 Cg_exo -77.01 104.87 1.98 Allowed 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.785 2.324 . . . . 0.0 111.153 175.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -70.49 -72.49 0.2 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.261 -175.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -148.81 158.57 44.25 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.984 -175.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.576 HD11 ' HB3' ' A' ' 12' ' ' ARG . 5.6 mp -109.34 133.09 53.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.571 176.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.411 ' OG1' ' HB1' ' A' ' 90' ' ' ALA . 17.5 p -127.77 140.79 51.84 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.901 178.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.55 144.0 38.44 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.129 0.49 . . . . 0.0 110.035 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -132.11 141.51 49.18 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.011 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.8 139.57 39.39 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.708 177.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 103' ' ' PRO . 60.9 tp -80.77 131.25 35.4 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.037 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.92 138.18 93.85 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 176.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.04 -33.76 64.5 Favored 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 123.128 2.552 . . . . 0.0 113.126 -177.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.41 ' C ' ' HD2' ' A' ' 129' ' ' ARG . 8.1 t70 -85.79 6.31 28.57 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.996 0.427 . . . . 0.0 110.796 -178.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.41 ' HD2' ' C ' ' A' ' 128' ' ' ASP . 1.0 OUTLIER 61.46 26.97 16.63 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.604 -179.525 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 34.7 t -81.96 -47.75 12.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.677 -174.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -152.22 -175.48 5.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.128 0.49 . . . . 0.0 111.754 -172.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -105.5 147.45 28.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.726 174.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -124.03 147.96 47.42 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.919 0.39 . . . . 0.0 110.065 175.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 134' ' ' ARG . 9.3 tpt180 -70.3 135.09 48.59 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.804 -178.08 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -120.22 153.42 36.32 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.542 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -106.27 128.56 54.06 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.409 -178.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.402 HD12 ' N ' ' A' ' 137' ' ' ILE . 4.0 mp -83.68 114.95 25.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.101 0.477 . . . . 0.0 110.282 -175.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -109.54 154.95 10.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.381 -178.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -90.52 159.18 41.83 Favored Pre-proline 0 C--N 1.312 -1.038 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.736 175.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.481 ' HD3' ' O ' ' A' ' 3' ' ' THR . 39.1 Cg_exo -57.74 130.82 40.55 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 122.114 1.876 . . . . 0.0 110.52 171.109 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.59 128.88 10.75 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 123.738 0.648 . . . . 0.0 110.631 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -73.64 30.62 0.32 Allowed 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 123.547 2.831 . . . . 0.0 115.084 -164.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -115.36 -58.72 2.1 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.672 173.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . 53.59 76.3 0.54 Allowed Pre-proline 0 C--O 1.234 0.285 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.515 -174.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -56.95 144.93 87.55 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.918 2.412 . . . . 0.0 112.405 -176.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 80.1 mt -75.93 162.97 27.65 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.21 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -75.53 169.3 18.35 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 120.96 0.41 . . . . 0.0 110.868 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -62.8 147.18 50.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.497 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -66.04 121.23 14.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.042 0.449 . . . . 0.0 111.105 -175.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -121.29 128.32 52.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.898 179.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.37 98.05 6.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.748 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -175.91 130.91 0.25 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 176.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.774 -0.631 . . . . 0.0 110.465 178.704 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ttt . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.826 0.346 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.56 ' HG2' ' HB3' ' A' ' 140' ' ' PRO . 13.7 mptt -112.0 137.49 49.95 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 176.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.9 t -158.45 173.62 16.35 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.119 -176.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.3 p -107.48 151.85 41.12 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.294 -178.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.596 ' HA ' HD12 ' A' ' 8' ' ' LEU . 16.9 Cg_endo -57.88 -33.15 96.66 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.482 2.788 . . . . 0.0 113.073 -178.168 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -59.63 -39.98 86.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.267 179.06 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.48 ' O ' HG13 ' A' ' 11' ' ' ILE . 51.0 mm -68.45 -41.54 83.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 176.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.636 HD11 HG21 ' A' ' 137' ' ' ILE . 79.0 mt -56.5 -46.73 80.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.078 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.523 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 11.0 t70 -66.41 -37.14 84.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.405 -177.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 48.9 mt-30 -61.27 -36.2 79.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.073 175.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 7' ' ' ILE . 75.6 mt -65.93 -49.84 74.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.068 178.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.523 ' HG2' ' HA ' ' A' ' 9' ' ' ASP . 2.0 ptm180 -64.52 -38.3 90.52 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.082 -178.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.1 t -69.05 -45.97 79.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.661 0.267 . . . . 0.0 110.51 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -65.25 -32.75 74.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.828 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.79 -46.61 91.38 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.991 177.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.07 -27.52 63.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.849 0.357 . . . . 0.0 111.034 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -73.8 -39.22 64.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.306 -177.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.4 -35.84 53.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.969 -176.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.446 ' HA ' ' N ' ' A' ' 21' ' ' GLU . 3.8 m-85 -65.71 162.13 46.68 Favored Pre-proline 0 C--N 1.33 -0.269 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -174.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.401 ' C ' ' HA ' ' A' ' 19' ' ' TYR . 43.9 Cg_endo -68.87 -8.98 9.13 Favored 'Cis proline' 0 C--N 1.354 0.823 0 C-N-CA 124.1 -1.208 . . . . 0.0 114.632 5.254 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.446 ' N ' ' HA ' ' A' ' 19' ' ' TYR . 41.9 mt-10 -75.62 157.58 33.58 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 176.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -92.35 133.59 35.72 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.073 0.463 . . . . 0.0 110.982 -177.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.54 -63.29 1.23 Allowed Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 176.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 44' ' ' ARG . 63.2 m 62.68 176.38 0.14 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.179 0.514 . . . . 0.0 112.032 175.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 43' ' ' HIS . . . 145.12 -164.82 27.88 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.262 177.373 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.431 ' HA ' ' HA ' ' A' ' 81' ' ' VAL . 96.0 m-85 -108.73 160.49 15.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.058 0.456 . . . . 0.0 111.158 -177.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.6 mt -104.03 127.42 51.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.599 176.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.584 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 72.3 mt -108.0 145.27 34.14 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.896 0.379 . . . . 0.0 110.521 -176.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.453 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . 176.93 -153.35 13.66 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.699 179.017 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.2 p -121.28 152.31 39.05 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.716 0.293 . . . . 0.0 110.727 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.0 t -92.78 134.27 31.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.031 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.455 ' O ' ' HB3' ' A' ' 33' ' ' ASP . 8.1 t -115.82 140.08 49.57 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 178.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.455 ' HB3' ' O ' ' A' ' 32' ' ' THR . 28.7 t70 72.79 -12.34 0.77 Allowed 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.508 0.505 . . . . 0.0 111.159 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.427 ' H ' ' C ' ' A' ' 32' ' ' THR . 20.2 t70 75.48 12.73 3.13 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.9 -172.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -125.71 -44.75 0.25 Allowed Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.145 -0.934 . . . . 0.0 112.772 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -102.24 172.21 7.03 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -177.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.782 ' HB2' ' HB ' ' A' ' 79' ' ' VAL . 8.3 p30 -128.98 142.24 50.99 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.16 0.505 . . . . 0.0 111.541 -174.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.475 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 37.9 ttt180 -115.87 105.89 13.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.624 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 49.0 t -84.49 122.62 38.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.681 -176.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -134.62 2.95 3.24 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -176.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.584 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -154.07 150.14 27.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.775 0.322 . . . . 0.0 111.307 179.265 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.3 mt -109.19 157.02 19.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.178 0.513 . . . . 0.0 111.404 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.407 ' O ' ' HA3' ' A' ' 25' ' ' GLY . 73.6 t60 -141.21 135.69 30.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.665 174.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.453 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 15.9 ptt180 -107.23 140.35 40.25 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 178.143 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.425 ' HA ' ' OD1' ' A' ' 63' ' ' ASP . . . -49.93 100.02 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 O-C-N 123.75 0.656 . . . . 0.0 111.78 -179.001 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 83.1 m -164.3 136.16 4.64 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.49 -0.929 . . . . 0.0 108.49 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.614 ' CB ' ' HB3' ' A' ' 62' ' ' ASP . 22.3 p-10 -105.99 125.29 50.82 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.494 0.664 . . . . 0.0 111.548 -175.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -104.72 63.26 0.72 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.925 175.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -82.87 97.89 8.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.684 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.5 t -125.47 -36.03 2.51 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.243 0.544 . . . . 0.0 110.633 -178.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.454 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -96.5 139.44 32.59 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.092 -178.022 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -92.36 83.09 4.95 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -122.23 121.21 36.27 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.306 -177.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.2 p -98.25 146.05 26.03 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.669 178.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -107.81 -79.01 0.58 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -135.83 -84.02 0.38 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.796 0.332 . . . . 0.0 110.139 169.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -111.41 1.8 17.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.651 0.739 . . . . 0.0 109.783 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -70.96 90.72 0.83 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.167 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.15 32.66 4.47 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 175.141 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.8 t -141.09 159.72 41.6 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.01 -174.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 61.73 83.28 0.15 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.425 0.631 . . . . 0.0 112.1 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.614 ' HB3' ' CB ' ' A' ' 47' ' ' ASN . 0.5 OUTLIER -59.56 -42.48 92.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.495 179.393 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.425 ' OD1' ' HA ' ' A' ' 45' ' ' ALA . 36.3 t70 -66.97 -34.01 76.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.293 -177.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -60.1 -45.97 91.17 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 120.882 0.372 . . . . 0.0 110.062 178.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.416 ' HD3' HH11 ' A' ' 65' ' ' ARG . 37.1 mtt180 -61.11 -39.32 89.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.898 177.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.68 -37.55 79.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.045 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.08 -42.74 84.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.314 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.463 ' O ' ' HG2' ' A' ' 72' ' ' GLN . 33.6 t70 -69.36 -40.15 77.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.648 -178.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.509 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -60.4 -53.68 54.72 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.949 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.13 -32.47 74.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.97 0.414 . . . . 0.0 110.401 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.496 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -62.86 -52.26 63.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.81 177.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 10.2 pt20 -66.89 -32.35 73.56 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.881 -178.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 73.9 mt-10 -59.97 -39.97 87.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.257 0.551 . . . . 0.0 110.941 173.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -87.61 -0.24 56.58 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.894 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.89 29.81 64.5 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.251 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.5 mt -126.32 -177.25 3.91 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -178.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -142.23 175.88 9.41 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 173.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.3 t -81.3 111.84 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.131 -178.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.782 ' HB ' ' HB2' ' A' ' 37' ' ' ASN . 29.3 m -106.1 -13.01 9.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.67 -176.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -165.12 -178.74 38.59 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.185 -1.007 . . . . 0.0 112.719 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.431 ' HA ' ' HA ' ' A' ' 26' ' ' PHE . 2.9 t -139.67 157.04 26.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -139.4 136.2 34.45 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.468 0.651 . . . . 0.0 110.849 174.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -144.8 131.78 20.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.007 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.6 p -105.49 154.38 20.44 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.108 0.48 . . . . 0.0 111.271 -174.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 49.3 m80 -114.8 143.34 29.87 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 175.232 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 8.3 Cg_exo -72.91 84.27 1.3 Allowed 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.603 2.202 . . . . 0.0 111.581 177.267 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.482 ' CG ' ' HE ' ' A' ' 113' ' ' ARG . 48.3 t0 59.89 90.4 0.06 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.705 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.547 ' HB3' ' HD2' ' A' ' 89' ' ' PRO . 4.9 m170 -155.93 166.54 16.15 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.351 -0.841 . . . . 0.0 108.928 178.101 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.547 ' HD2' ' HB3' ' A' ' 88' ' ' HIS . 24.2 Cg_endo -61.31 5.35 0.18 Allowed 'Trans proline' 0 N--CA 1.486 1.048 0 C-N-CA 123.278 2.652 . . . . 0.0 115.257 -172.432 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 70.44 -5.67 1.33 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.736 0.814 . . . . 0.0 113.09 173.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.03 145.65 30.2 Favored Pre-proline 0 C--N 1.312 -1.032 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 174.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_exo -61.18 135.61 59.49 Favored 'Trans proline' 0 C--O 1.236 0.4 0 C-N-CA 122.787 2.324 . . . . 0.0 112.725 -176.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.2 m -86.17 179.44 6.94 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 173.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.684 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -58.38 -47.95 82.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.664 0.268 . . . . 0.0 110.838 179.255 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.493 ' HA ' ' OE1' ' A' ' 98' ' ' GLU . 87.4 m -65.85 -33.05 74.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.808 -178.152 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -59.82 -41.47 91.38 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.14 0.495 . . . . 0.0 110.051 176.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.9 tt -69.3 -39.04 78.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.963 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.684 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 55.8 mt-10 -59.94 -40.05 87.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.933 -177.152 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 95' ' ' THR . 14.9 pt-20 -91.63 -10.48 40.24 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.368 -179.243 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.92 91.37 6.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.095 0.474 . . . . 0.0 110.11 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.9 m -119.99 26.8 9.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.398 0.618 . . . . 0.0 110.307 -177.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -113.19 86.92 10.09 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.674 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -71.8 143.05 40.57 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.562 2.175 . . . . 0.0 112.236 -178.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.76 -19.91 52.47 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.996 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -91.88 143.72 26.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.873 0.368 . . . . 0.0 110.478 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 36.6 m -92.73 126.58 37.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.011 176.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -96.66 114.82 26.5 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.616 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 67.8 t -97.76 116.61 40.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 121.232 0.539 . . . . 0.0 109.987 174.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.1 mt -110.61 125.27 67.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.778 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.68 ' HB ' HD23 ' A' ' 120' ' ' LEU . 5.1 p -117.39 139.93 42.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.322 178.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.0 t -95.66 106.75 18.88 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.383 176.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.48 ' HA ' ' HA ' ' A' ' 117' ' ' PRO . 22.7 t -108.41 116.59 52.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.09 0.471 . . . . 0.0 109.813 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.482 ' HE ' ' CG ' ' A' ' 87' ' ' ASP . 43.0 ttm180 -94.11 88.43 5.64 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.459 -176.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 37.9 t70 64.5 11.85 6.93 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.937 174.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.473 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 137.27 -22.65 3.21 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.911 -178.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -99.85 105.87 37.34 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.648 0.261 . . . . 0.0 111.339 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.48 ' HA ' ' HA ' ' A' ' 112' ' ' VAL . 5.7 Cg_exo -74.46 113.97 3.92 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.933 2.422 . . . . 0.0 111.323 176.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -88.9 -68.16 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.172 -177.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -110.87 129.7 55.79 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.979 -174.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.68 HD23 ' HB ' ' A' ' 110' ' ' VAL . 15.5 mt -104.94 121.2 43.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.424 171.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 20.0 p -132.27 135.15 46.04 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.687 0.279 . . . . 0.0 110.643 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.92 142.19 41.6 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -134.64 137.69 43.86 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.921 -174.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.68 126.85 52.16 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.941 176.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 64.7 tp -84.68 119.36 25.16 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.75 143.79 98.78 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.814 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo -58.21 -24.74 68.64 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.491 2.127 . . . . 0.0 111.23 176.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -68.73 -22.91 64.3 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.374 176.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 52.12 35.56 16.8 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 114.842 -1.072 . . . . 0.0 112.798 176.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 64.3 m -97.17 -12.35 23.16 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 121.791 -0.568 . . . . 0.0 110.527 173.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -171.75 172.9 4.75 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.452 0.644 . . . . 0.0 110.957 -177.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -106.3 156.48 18.45 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.877 -1.056 . . . . 0.0 108.317 173.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -122.68 140.45 52.84 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 120.944 0.402 . . . . 0.0 109.975 178.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -62.59 136.6 57.97 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.301 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -131.72 156.95 45.02 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.79 -1.096 . . . . 0.0 108.18 177.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -126.26 163.3 23.5 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.084 0.469 . . . . 0.0 110.194 178.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.636 HG21 HD11 ' A' ' 8' ' ' LEU . 50.4 mm -84.03 114.73 25.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.326 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 2.4 m -121.12 134.26 65.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -175.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 139' ' ' ARG . 34.3 mtm-85 -93.1 104.79 12.87 Favored Pre-proline 0 C--N 1.319 -0.742 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 170.27 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.56 ' HB3' ' HG2' ' A' ' 2' ' ' LYS . 61.6 Cg_endo -71.23 154.88 61.53 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 123.071 2.514 . . . . 0.0 114.607 -165.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -93.1 111.1 50.19 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.326 -0.852 . . . . 0.0 108.756 170.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -62.88 133.52 42.11 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 122.857 2.371 . . . . 0.0 112.914 -173.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.408 ' O ' ' HD3' ' A' ' 145' ' ' PRO . 0.2 OUTLIER 55.3 40.38 31.52 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 113.721 -1.581 . . . . 0.0 113.644 174.513 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.427 ' HA ' ' HD3' ' A' ' 145' ' ' PRO . . . -87.3 102.32 3.12 Favored Pre-proline 0 C--N 1.315 -0.898 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.001 167.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 144' ' ' ALA . 10.6 Cg_exo -69.6 138.2 37.75 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.962 2.442 . . . . 0.0 113.184 -171.273 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 94.0 mt -105.34 -52.77 2.77 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.275 174.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -117.9 81.32 1.65 Allowed 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 121.602 0.715 . . . . 0.0 110.298 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -97.71 -10.3 25.2 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.386 -0.824 . . . . 0.0 108.992 176.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' HIS . . . . . 0.447 ' O ' ' HB3' ' A' ' 150' ' ' HIS . 23.6 t-80 -120.22 134.68 55.2 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.988 178.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.447 ' HB3' ' O ' ' A' ' 149' ' ' HIS . 19.3 t-80 70.32 81.09 0.17 Allowed 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.629 0.728 . . . . 0.0 110.095 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -99.22 168.99 9.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.316 -173.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -100.18 157.94 16.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.242 -0.89 . . . . 0.0 108.716 167.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 . . . . . 0 C--N 1.317 -0.839 0 CA-C-O 118.418 -0.801 . . . . 0.0 110.42 -179.476 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.49 ' HB2' HG21 ' A' ' 106' ' ' THR . 24.9 ttt . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 120.663 0.268 . . . . 0.0 111.296 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 138' ' ' VAL . 13.8 mptt -110.19 124.42 51.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.718 176.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.465 ' O ' ' HA ' ' A' ' 139' ' ' ARG . 10.1 t -159.52 173.75 15.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.476 175.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.6 p -96.06 153.88 39.03 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-O 121.049 0.452 . . . . 0.0 111.287 -177.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.417 ' HA ' HD12 ' A' ' 8' ' ' LEU . 14.1 Cg_endo -58.36 -26.59 78.05 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.021 2.481 . . . . 0.0 111.971 175.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -59.7 -48.93 79.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.272 176.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.617 ' O ' HG13 ' A' ' 11' ' ' ILE . 39.8 mm -61.88 -42.92 96.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.179 176.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.619 HD21 HG21 ' A' ' 137' ' ' ILE . 91.7 mt -56.32 -40.91 75.15 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.531 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.546 ' HA ' ' NH1' ' A' ' 12' ' ' ARG . 13.9 t70 -66.7 -44.04 82.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.06 0.457 . . . . 0.0 109.825 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -63.9 -30.9 71.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.58 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.617 HG13 ' O ' ' A' ' 7' ' ' ILE . 73.2 mt -61.63 -40.85 88.12 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-O 120.81 0.338 . . . . 0.0 110.323 176.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.546 ' NH1' ' HA ' ' A' ' 9' ' ' ASP . 55.0 mtm-85 -65.64 -39.76 91.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 0.0 110.149 177.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 9' ' ' ASP . 57.6 t -56.35 -38.63 56.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.41 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -31.9 63.47 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 177.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.4 -50.19 69.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.892 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.27 -42.73 54.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.851 0.358 . . . . 0.0 111.319 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.68 -38.8 92.22 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.869 -173.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.634 ' HB1' ' HG2' ' A' ' 22' ' ' GLU . . . -82.7 -33.01 27.74 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.491 -174.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.406 ' HE2' ' HA ' ' A' ' 114' ' ' ASP . 0.8 OUTLIER -52.58 139.12 40.04 Favored Pre-proline 0 C--N 1.332 -0.178 0 O-C-N 123.317 0.385 . . . . 0.0 110.837 -175.642 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -90.59 -2.88 56.88 Favored 'Cis proline' 0 CA--C 1.535 0.544 0 C-N-CA 123.729 -1.363 . . . . 0.0 114.292 3.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -80.63 176.55 9.7 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -173.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.634 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 0.3 OUTLIER 47.33 -154.34 0.07 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.424 1.089 . . . . 0.0 111.54 -175.128 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.81 -38.71 1.26 Allowed Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 -176.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.0 p -110.68 166.44 11.01 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 174.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 172.11 178.45 42.35 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.344 -0.931 . . . . 0.0 112.016 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -109.8 149.85 29.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.048 0.451 . . . . 0.0 111.178 -175.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 73.6 mt -98.98 124.99 44.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.523 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.53 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 85.6 mt -104.69 133.09 50.12 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.097 0.475 . . . . 0.0 110.563 -177.082 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -179.84 -152.43 10.8 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.086 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.9 p -136.14 160.37 38.88 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.7 t -88.42 106.33 16.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 173.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.4 t -77.29 121.59 23.92 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.158 -171.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.495 ' O ' ' HB3' ' A' ' 34' ' ' ASP . 6.1 t70 63.89 -0.15 0.84 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 114.214 -1.357 . . . . 0.0 111.93 177.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.495 ' HB3' ' O ' ' A' ' 33' ' ' ASP . 31.9 t70 73.6 19.58 3.27 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 122.15 0.976 . . . . 0.0 109.334 -175.149 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -105.11 -24.82 7.02 Favored Glycine 0 CA--C 1.521 0.414 0 CA-C-N 115.108 -0.951 . . . . 0.0 113.245 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -170.13 170.98 7.13 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -88.75 130.31 35.37 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.202 0.525 . . . . 0.0 111.053 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -107.67 106.38 16.68 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.719 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.9 t -94.5 116.66 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.141 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -117.35 -20.16 9.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.718 -176.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.53 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -132.65 142.21 48.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.967 0.413 . . . . 0.0 111.151 -178.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.4 mt -107.65 134.74 50.2 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.588 178.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -119.02 120.64 37.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.804 0.335 . . . . 0.0 110.274 176.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.579 ' HA ' ' OH ' ' A' ' 82' ' ' TYR . 76.5 mtt180 -82.71 134.99 35.13 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.723 -0.844 . . . . 0.0 108.723 177.335 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.98 100.32 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.088 0.47 . . . . 0.0 110.59 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.28 105.2 4.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.905 -177.123 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -86.22 137.35 32.7 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.514 -174.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -129.05 110.56 12.15 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 173.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -76.37 112.61 13.05 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.676 0.75 . . . . 0.0 111.297 -178.307 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.7 m -111.91 85.47 2.15 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-N 115.165 -0.925 . . . . 0.0 108.609 171.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.712 ' HG3' HD13 ' A' ' 59' ' ' LEU . 1.6 mp0 -48.0 105.22 0.07 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.175 -176.055 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -76.98 142.61 39.91 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.383 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -76.1 -26.6 56.59 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.148 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.5 p -85.52 146.39 26.94 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.823 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 68.45 -171.76 0.18 Allowed 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.717 0.635 . . . . 0.0 111.157 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.425 ' O ' ' HB2' ' A' ' 57' ' ' TYR . 14.7 ttm180 -145.37 148.39 33.31 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.425 ' HB2' ' O ' ' A' ' 56' ' ' ARG . 75.8 m-85 73.05 -43.23 0.56 Allowed 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.234 0.614 . . . . 0.0 111.51 -176.328 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -76.49 76.8 3.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.138 0.494 . . . . 0.0 111.695 177.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.712 HD13 ' HG3' ' A' ' 51' ' ' GLU . 35.1 mt -79.17 -32.73 44.29 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 169.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 12.7 t -166.08 164.14 18.11 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 113.835 -1.53 . . . . 0.0 107.634 172.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.576 ' HB3' ' HG3' ' A' ' 65' ' ' ARG . . . -117.71 95.54 4.98 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 121.07 -0.252 . . . . 0.0 110.414 -176.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.414 ' HB3' ' H ' ' A' ' 64' ' ' TYR . 5.1 t0 56.41 -161.61 0.19 Allowed 'General case' 0 CA--C 1.532 0.287 0 O-C-N 123.902 0.752 . . . . 0.0 110.137 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -79.92 -7.44 58.76 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 170.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.414 ' H ' ' HB3' ' A' ' 62' ' ' ASP . 69.5 t80 -54.9 -50.8 67.87 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.413 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.576 ' HG3' ' HB3' ' A' ' 61' ' ' ALA . 35.4 mtt180 -60.52 -36.21 77.83 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -176.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.48 -41.38 80.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.961 0.41 . . . . 0.0 110.457 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.16 -40.56 86.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.923 174.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.05 -45.09 96.17 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.267 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.11 -51.24 67.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.018 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.12 -33.27 75.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.338 -178.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.497 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -62.0 -51.32 68.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.307 176.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -59.94 -44.23 94.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.771 179.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.42 -43.43 83.8 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 177.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -83.68 -4.59 58.73 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.128 -178.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.21 32.76 59.9 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.882 -177.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.2 mt -125.94 -179.75 4.84 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -143.87 177.49 8.5 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 174.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.8 t -81.18 110.43 16.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.892 0.377 . . . . 0.0 110.364 -176.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.5 m -111.64 -1.46 9.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.708 -176.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.498 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -174.76 -179.96 45.68 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 119.755 -1.212 . . . . 0.0 113.334 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 107' ' ' TYR . 3.8 t -138.67 153.86 26.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.579 ' OH ' ' HA ' ' A' ' 44' ' ' ARG . 11.7 p90 -127.57 152.67 47.33 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.787 177.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -134.31 126.51 29.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.545 176.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.1 m -105.75 126.1 51.77 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 66.3 m170 -100.65 142.69 25.11 Favored Pre-proline 0 C--N 1.322 -0.609 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.305 -178.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -82.1 98.31 0.94 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 122.727 2.284 . . . . 0.0 110.256 171.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 44.8 t0 70.29 -170.69 0.17 Allowed 'General case' 0 C--O 1.237 0.427 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -176.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 32.7 m170 67.93 160.86 0.14 Allowed Pre-proline 0 N--CA 1.472 0.657 0 C-N-CA 123.447 0.699 . . . . 0.0 111.829 178.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -57.67 154.88 34.5 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 123.186 2.591 . . . . 0.0 113.329 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -83.25 37.33 0.55 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.752 -176.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.501 ' NH1' ' HA ' ' A' ' 93' ' ' SER . 7.7 ppt_? -113.79 151.98 45.17 Favored Pre-proline 0 C--N 1.322 -0.587 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.269 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -61.79 132.36 39.59 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.802 2.335 . . . . 0.0 112.692 -177.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.501 ' HA ' ' NH1' ' A' ' 91' ' ' ARG . 12.6 t -95.3 -170.77 2.24 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 176.492 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.1 -47.45 74.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.922 0.392 . . . . 0.0 111.175 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.7 m -67.44 -39.87 85.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.528 -177.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -61.43 -42.27 98.49 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.054 0.454 . . . . 0.0 110.062 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.65 -44.09 74.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.973 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -68.64 -33.13 73.49 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.502 -176.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -94.9 8.1 43.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.022 0.439 . . . . 0.0 111.302 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.03 61.55 6.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.358 0.599 . . . . 0.0 110.266 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.672 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 6.1 t -95.85 8.26 44.07 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.817 -175.05 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.481 ' HB3' ' CD1' ' A' ' 105' ' ' PHE . 76.4 m-85 -104.64 87.13 1.64 Allowed Pre-proline 0 C--N 1.317 -0.839 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.33 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.672 ' HD3' ' O ' ' A' ' 101' ' ' THR . 4.0 Cg_exo -76.08 123.86 7.56 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.64 2.227 . . . . 0.0 111.917 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 109.4 -7.82 32.44 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.809 -179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.498 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 33.8 m-85 -93.72 151.19 19.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.704 0.288 . . . . 0.0 110.497 178.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.49 HG21 ' HB2' ' A' ' 1' ' ' MET . 25.2 m -92.38 126.78 37.61 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.3 178.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.432 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 88.9 m-85 -102.99 115.35 30.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.054 -177.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 99.8 t -101.7 125.9 55.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 174.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 68.6 mt -120.11 129.73 75.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.203 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.768 ' HB ' ' HB3' ' A' ' 120' ' ' LEU . 3.3 p -130.67 132.03 64.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-O 121.301 0.572 . . . . 0.0 110.705 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.6 m -84.24 111.66 19.58 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.812 177.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.3 t -111.61 115.97 51.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 176.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.35 86.21 2.78 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -176.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.406 ' HA ' ' HE2' ' A' ' 19' ' ' TYR . 38.6 t70 54.32 62.88 2.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.673 -179.062 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.01 -35.64 4.01 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.786 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.424 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . . . -86.25 111.29 37.71 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.75 0.31 . . . . 0.0 111.724 -176.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 116' ' ' ALA . 1.3 Cg_endo -84.32 110.94 1.53 Allowed 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 123.267 2.644 . . . . 0.0 111.511 179.076 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -77.23 -76.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -176.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -139.12 141.54 38.09 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.029 -175.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.768 ' HB3' ' HB ' ' A' ' 110' ' ' VAL . 2.4 pp -119.42 152.71 36.39 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.912 172.399 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.486 HG21 ' NE ' ' A' ' 134' ' ' ARG . 5.1 m -149.44 161.88 41.23 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 176.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -108.95 138.67 44.93 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.405 ' CZ3' ' HB2' ' A' ' 134' ' ' ARG . 78.4 m95 -123.18 140.13 53.34 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.845 -175.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.45 128.06 52.27 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.452 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.72 HD21 ' HG2' ' A' ' 129' ' ' ARG . 57.5 tp -80.97 135.79 35.92 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.128 -178.066 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.436 ' HB3' ' H ' ' A' ' 131' ' ' GLU . . . -62.09 149.66 85.89 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 174.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -37.27 -57.81 0.65 Allowed 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 123.797 2.998 . . . . 0.0 114.432 -175.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -102.4 31.08 4.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.083 0.468 . . . . 0.0 110.895 -176.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.72 ' HG2' HD21 ' A' ' 125' ' ' LEU . 55.5 mtm180 66.35 18.32 10.86 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.406 176.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 11.7 m -65.77 -29.3 69.78 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -173.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.436 ' H ' ' HB3' ' A' ' 126' ' ' ALA . 12.6 pt-20 -169.61 179.74 3.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.614 0.245 . . . . 0.0 110.778 -178.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -116.05 153.62 31.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.639 175.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -127.7 147.02 50.38 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 172.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.486 ' NE ' HG21 ' A' ' 121' ' ' THR . 46.6 ttt180 -95.57 146.07 24.74 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.991 0.424 . . . . 0.0 111.33 -174.137 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -140.66 153.53 46.04 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.955 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -96.92 154.01 17.55 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 173.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.619 HG21 HD21 ' A' ' 8' ' ' LEU . 3.4 mp -83.52 122.0 37.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.096 0.474 . . . . 0.0 110.437 -174.442 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 3.7 m -109.68 154.17 11.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.803 178.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.465 ' HA ' ' O ' ' A' ' 3' ' ' THR . 44.9 mtm180 -78.45 158.55 76.22 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.818 179.389 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -72.85 99.01 1.03 Allowed 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.835 1.69 . . . . 0.0 111.576 174.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -97.14 107.34 37.44 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.898 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -83.24 30.69 0.53 Allowed 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 123.051 2.501 . . . . 0.0 111.485 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -118.46 0.3 11.58 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.788 -175.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.453 ' HA ' ' HD3' ' A' ' 145' ' ' PRO . . . -77.33 132.22 70.28 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.828 179.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 144' ' ' ALA . 20.1 Cg_exo -66.51 162.54 36.3 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.716 2.278 . . . . 0.0 112.132 176.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 96.0 mt -55.65 143.46 30.21 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.749 -178.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.15 152.39 32.79 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.171 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -163.15 27.73 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.496 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -77.54 88.44 3.86 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 178.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -87.77 -55.38 3.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.309 177.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 84.5 t60 57.07 80.68 0.15 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.898 -177.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -102.89 -20.98 14.07 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 23.1 p80 . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.25 -0.881 . . . . 0.0 109.26 176.133 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.673 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 24.0 ttt . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 120.733 0.302 . . . . 0.0 111.301 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -113.71 134.41 54.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.88 176.51 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.5 t -157.6 144.88 18.4 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.817 0.341 . . . . 0.0 110.726 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.548 ' HB ' ' OD1' ' A' ' 6' ' ' ASP . 0.7 OUTLIER -74.51 151.2 87.26 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.031 -175.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -62.32 -31.32 81.73 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.919 2.412 . . . . 0.0 112.361 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.548 ' OD1' ' HB ' ' A' ' 4' ' ' THR . 5.7 p-10 -66.77 -32.88 74.47 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.621 178.253 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.548 ' O ' HG13 ' A' ' 11' ' ' ILE . 46.3 mm -67.94 -44.69 84.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 174.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.8 mt -58.95 -38.17 78.44 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.807 177.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.503 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 32.3 t70 -63.7 -47.16 82.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.28 0.562 . . . . 0.0 110.496 176.337 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -60.37 -31.36 70.27 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.18 176.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.548 HG13 ' O ' ' A' ' 7' ' ' ILE . 78.5 mt -68.03 -49.07 71.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.158 177.135 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' A' ' 9' ' ' ASP . 16.3 ptt180 -64.32 -36.72 85.05 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.634 0.254 . . . . 0.0 110.772 -178.025 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.6 t -69.13 -39.19 79.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.993 0.425 . . . . 0.0 109.89 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.667 ' HE1' ' HD3' ' A' ' 44' ' ' ARG . 80.9 t60 -59.09 -28.92 66.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.404 178.4 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.42 -47.51 90.77 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.483 -0.865 . . . . 0.0 111.966 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.8 -36.95 62.48 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.198 0.523 . . . . 0.0 110.959 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.427 ' HB3' ' HA ' ' A' ' 14' ' ' HIS . 17.1 t70 -67.09 -39.6 86.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.174 -174.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.429 ' HB1' ' HA3' ' A' ' 23' ' ' GLY . . . -75.55 -38.7 59.05 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.733 -177.124 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -71.31 159.22 86.19 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.358 -175.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -73.17 -4.2 14.96 Favored 'Cis proline' 0 N--CA 1.477 0.512 0 C-N-CA 124.029 -1.238 . . . . 0.0 114.195 4.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -67.66 157.31 34.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.159 0.504 . . . . 0.0 111.291 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -71.2 98.38 1.7 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.853 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.429 ' HA3' ' HB1' ' A' ' 18' ' ' ALA . . . -81.89 52.7 4.64 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.07 -0.586 . . . . 0.0 113.21 -175.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.6 p -68.49 153.69 43.27 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 120.957 0.408 . . . . 0.0 111.373 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -175.39 175.96 47.26 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.58 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -124.24 160.84 27.06 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.747 0.308 . . . . 0.0 110.457 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.4 mt -94.29 112.06 23.84 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.557 178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.559 HD22 ' HB2' ' A' ' 71' ' ' ALA . 51.0 mt -104.72 132.38 51.03 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.136 0.493 . . . . 0.0 110.424 -177.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.541 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . -173.23 -146.31 5.42 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.493 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.5 p -129.95 159.57 36.24 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.808 0.337 . . . . 0.0 110.778 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.1 t -88.04 106.22 16.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 175.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.628 ' HB ' ' HE ' ' A' ' 38' ' ' ARG . 3.3 t -99.04 152.35 19.92 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.475 -1.239 . . . . 0.0 110.035 -173.331 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.487 ' HA ' ' HA ' ' A' ' 146' ' ' LEU . 4.2 m-20 67.95 -0.75 1.94 Allowed 'General case' 0 N--CA 1.462 0.159 0 O-C-N 123.69 0.619 . . . . 0.0 110.433 179.256 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.866 ' HB3' ' HB2' ' A' ' 147' ' ' GLU . 8.0 t70 51.95 61.99 2.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.657 -1.156 . . . . 0.0 109.623 -170.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.47 -31.82 0.16 Allowed Glycine 0 N--CA 1.444 -0.819 0 CA-C-N 114.341 -1.3 . . . . 0.0 111.962 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -107.03 178.2 4.63 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.855 ' HB2' ' HB ' ' A' ' 79' ' ' VAL . 20.9 p-10 -136.9 128.16 28.07 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.056 0.455 . . . . 0.0 111.15 -173.229 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.628 ' HE ' ' HB ' ' A' ' 32' ' ' THR . 9.8 ptp180 -115.79 145.42 42.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.288 0.566 . . . . 0.0 110.7 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.6 t -101.66 117.85 47.58 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.02 -177.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -107.58 -24.81 11.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.468 -176.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -152.61 153.77 34.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.225 0.536 . . . . 0.0 111.295 -176.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.7 mt -117.0 149.51 40.14 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.311 176.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -144.86 134.74 23.71 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 177.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.667 ' HD3' ' HE1' ' A' ' 14' ' ' HIS . 7.9 mmm180 -72.89 135.87 45.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.218 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.472 ' HB1' ' OD1' ' A' ' 63' ' ' ASP . . . -98.69 -166.44 1.36 Allowed 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.021 172.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.6 t -120.91 174.47 6.59 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 176.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -76.58 89.9 3.33 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 171.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.84 126.45 5.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.884 -1.053 . . . . 0.0 113.425 -172.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.443 ' HE ' ' CG ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -119.89 48.67 1.5 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.739 -1.119 . . . . 0.0 108.618 177.39 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.6 p -67.34 -4.09 9.94 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 114.691 -1.141 . . . . 0.0 113.271 -171.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 66.98 -164.28 0.22 Allowed 'General case' 0 CA--C 1.535 0.398 0 O-C-N 123.145 0.278 . . . . 0.0 110.524 175.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -68.94 131.8 45.68 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -79.87 93.79 5.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.805 -175.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.455 HG22 ' H ' ' A' ' 57' ' ' TYR . 25.3 m -76.26 133.36 40.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.902 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -86.13 -41.73 14.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.393 -177.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.2 mtt85 -97.18 -12.03 23.55 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -170.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.455 ' H ' HG22 ' A' ' 54' ' ' THR . 4.2 t80 -121.86 128.52 51.72 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.139 -0.624 . . . . 0.0 110.901 -176.276 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -85.72 129.13 34.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.749 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -121.59 -169.0 1.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 174.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.5 t -78.94 136.29 37.21 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 175.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.45 109.04 19.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.891 0.377 . . . . 0.0 110.979 -177.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.443 ' CG ' ' HE ' ' A' ' 49' ' ' ARG . 27.9 t70 -87.54 151.33 23.09 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.06 -177.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.472 ' OD1' ' HB1' ' A' ' 45' ' ' ALA . 36.2 t70 68.31 -74.82 0.07 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.96 0.904 . . . . 0.0 112.781 176.473 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -52.18 -45.35 65.11 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -173.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.4 ' HA ' ' HB3' ' A' ' 68' ' ' ASP . 4.3 mmt180 -53.55 -34.16 57.28 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -178.256 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.73 -47.52 75.03 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.536 -178.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.75 -35.8 75.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.231 0.539 . . . . 0.0 109.989 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.4 ' HB3' ' HA ' ' A' ' 65' ' ' ARG . 13.7 t70 -62.84 -48.59 78.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.019 178.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.45 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -69.25 -49.84 52.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.099 -177.65 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.68 -34.48 69.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.119 -177.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.559 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -63.05 -52.18 63.78 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.211 177.185 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -64.66 -35.23 80.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.85 -178.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 54.8 mt-10 -60.85 -38.25 84.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.43 0.633 . . . . 0.0 110.888 176.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -90.01 5.78 45.09 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.963 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.98 16.89 79.28 Favored Glycine 0 C--N 1.329 0.192 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.647 178.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 67.1 mt -114.1 -176.83 2.99 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -150.15 170.75 18.19 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 173.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.8 t -77.32 108.26 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.91 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.855 ' HB ' ' HB2' ' A' ' 37' ' ' ASN . 29.0 m -102.92 -6.45 9.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.445 -177.248 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.433 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -176.3 174.44 46.96 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.412 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.5 t -121.4 152.03 24.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -135.61 134.91 39.79 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.252 -177.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -150.35 150.5 31.52 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.762 174.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.4 p -103.97 144.64 31.26 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 177.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.447 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 1.7 t60 -130.38 138.41 32.99 Favored Pre-proline 0 C--N 1.319 -0.718 0 C-N-CA 119.497 -0.881 . . . . 0.0 111.85 -170.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.464 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 61.4 Cg_endo -104.76 -171.45 0.06 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.147 0 C-N-CA 124.32 3.347 . . . . 0.0 110.571 165.017 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.464 ' HB3' ' O ' ' A' ' 86' ' ' PRO . 19.8 t70 70.81 -69.7 0.17 Allowed 'General case' 0 N--CA 1.474 0.749 0 CA-C-O 120.807 0.337 . . . . 0.0 110.449 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 61.0 m80 -107.2 140.27 21.28 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 167.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -84.57 -58.9 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 121.543 1.495 . . . . 0.0 115.025 -165.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.421 ' O ' ' HZ2' ' A' ' 123' ' ' TRP . . . -128.95 43.24 3.18 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.121 0.486 . . . . 0.0 111.328 -170.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.542 ' HB2' ' HD2' ' A' ' 92' ' ' PRO . 34.9 ptt85 -164.83 161.62 15.02 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.003 172.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.542 ' HD2' ' HB2' ' A' ' 91' ' ' ARG . 39.6 Cg_endo -66.7 -174.75 0.49 Allowed 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.629 2.219 . . . . 0.0 113.286 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.474 ' H ' ' HB3' ' A' ' 96' ' ' ASP . 49.3 m -151.08 -169.88 3.51 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.335 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.46 -49.28 74.28 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -171.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.2 m -79.47 -34.86 41.07 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.805 0.336 . . . . 0.0 110.53 -177.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.474 ' HB3' ' H ' ' A' ' 93' ' ' SER . 3.7 t70 -58.87 -39.57 81.77 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.638 176.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -69.28 -45.33 69.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.433 177.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -62.13 -39.37 92.34 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -173.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -79.88 -17.28 53.54 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.6 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -83.24 67.19 9.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.302 0.572 . . . . 0.0 110.418 177.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.7 m -95.89 11.94 32.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.453 -175.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -120.38 86.92 39.69 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.21 0.528 . . . . 0.0 111.44 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.478 ' HA ' HD23 ' A' ' 125' ' ' LEU . 66.4 Cg_endo -76.26 88.81 1.31 Allowed 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.552 2.168 . . . . 0.0 112.457 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -172.04 21.94 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.082 176.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.433 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 92.0 m-85 -141.47 163.67 32.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.558 0.218 . . . . 0.0 110.545 -177.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.0 m -92.75 138.42 31.51 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 173.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -111.46 114.41 27.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.826 0.346 . . . . 0.0 111.232 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.4 t -98.08 116.54 41.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.028 0.442 . . . . 0.0 109.918 175.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.0 mt -111.77 117.9 56.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.322 177.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.6 p -109.57 136.91 44.06 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-O 121.191 0.52 . . . . 0.0 110.195 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.48 ' HB3' ' H ' ' A' ' 119' ' ' ALA . 32.7 t -81.19 107.25 13.83 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.296 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 65.6 t -118.48 115.68 48.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.588 178.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.516 ' HB2' ' HB3' ' A' ' 116' ' ' ALA . 19.4 mtp180 -91.66 49.29 1.55 Allowed 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.848 -176.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 30.7 t70 62.74 84.13 0.15 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.79 -178.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 81.99 -2.19 84.54 Favored Glycine 0 N--CA 1.452 -0.252 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.482 -179.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.516 ' HB3' ' HB2' ' A' ' 113' ' ' ARG . . . -120.84 112.43 33.66 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 122.618 -0.342 . . . . 0.0 111.401 -178.353 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 116' ' ' ALA . 4.4 Cg_exo -77.82 118.18 4.41 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.998 2.465 . . . . 0.0 111.327 176.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.475 ' OE2' ' HD2' ' A' ' 113' ' ' ARG . 42.4 tt0 -100.11 -69.04 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.803 0.335 . . . . 0.0 110.976 -177.403 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.48 ' H ' ' HB3' ' A' ' 111' ' ' SER . . . -144.17 154.89 43.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.801 -177.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.2 tt -119.15 128.69 54.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 37.3 p -131.72 141.24 49.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.631 0.253 . . . . 0.0 111.123 -177.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -113.05 133.53 54.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.851 0.358 . . . . 0.0 110.192 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.421 ' HZ2' ' O ' ' A' ' 90' ' ' ALA . 70.5 m95 -128.74 149.81 50.55 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.288 -173.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -110.79 131.06 55.37 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.411 174.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 103' ' ' PRO . 50.7 tp -81.11 139.61 35.54 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.458 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . . . -61.64 142.77 94.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.455 177.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 126' ' ' ALA . 32.1 Cg_exo -59.15 -21.34 59.03 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.919 2.413 . . . . 0.0 112.756 -177.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -113.78 26.22 10.54 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 46.15 34.03 1.96 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.044 0.938 . . . . 0.0 111.966 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.36 -39.92 77.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.629 -179.392 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -178.71 -174.52 0.37 Allowed 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.067 -175.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.451 ' CD1' ' HG3' ' A' ' 92' ' ' PRO . 82.5 m-85 -106.04 144.46 32.72 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 176.022 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -124.48 146.2 49.08 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 176.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 18.1 tpt85 -79.24 134.81 36.65 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.433 -175.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -131.49 162.1 31.01 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.449 -176.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -101.92 144.13 30.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.87 0.367 . . . . 0.0 111.337 -174.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 58.8 mt -96.63 131.93 42.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.531 -178.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.55 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 1.3 m -109.59 150.09 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.93 0.395 . . . . 0.0 110.829 178.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.554 ' HG2' ' HD2' ' A' ' 140' ' ' PRO . 9.5 ttp180 -94.04 139.59 22.63 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.476 -175.122 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.554 ' HD2' ' HG2' ' A' ' 139' ' ' ARG . 29.6 Cg_exo -27.23 125.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.762 1 C-N-CA 125.743 4.295 . . . . 0.0 115.817 -177.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.54 111.27 54.86 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 114.223 -1.353 . . . . 0.0 110.287 177.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -88.53 21.54 0.98 Allowed 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 122.589 2.192 . . . . 0.0 112.174 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -142.47 18.07 2.04 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.545 -177.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.42 ' HA ' ' HD3' ' A' ' 145' ' ' PRO . . . -76.17 120.19 80.59 Favored Pre-proline 0 C--N 1.317 -0.843 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.135 -178.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 144' ' ' ALA . 3.9 Cg_exo -75.41 129.36 11.91 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 122.683 2.255 . . . . 0.0 111.547 177.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.659 ' H ' HD23 ' A' ' 146' ' ' LEU . 2.3 pt? -89.79 146.14 24.68 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.366 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.866 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 3.3 mm-40 -81.39 136.79 35.73 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-O 121.226 0.536 . . . . 0.0 111.366 178.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -149.66 35.42 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.557 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -83.4 136.45 34.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.524 175.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -72.3 94.93 1.65 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.947 0.403 . . . . 0.0 111.398 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -81.28 161.81 23.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.927 173.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -94.95 157.26 15.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.038 0.447 . . . . 0.0 110.581 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 . . . . . 0 C--N 1.32 -0.707 0 CA-C-O 118.085 -0.96 . . . . 0.0 109.726 -174.724 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.531 ' HA ' ' O ' ' A' ' 138' ' ' VAL . 12.3 mptt -106.02 120.59 42.17 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.882 0.372 . . . . 0.0 110.745 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.0 t -159.4 173.87 15.58 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.45 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.8 p -103.1 156.09 35.79 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 120.766 0.317 . . . . 0.0 110.711 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.404 ' HA ' HD12 ' A' ' 8' ' ' LEU . 11.8 Cg_endo -57.42 -29.38 84.26 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.832 2.354 . . . . 0.0 111.841 176.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.91 -40.05 91.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.271 176.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.481 ' O ' HG13 ' A' ' 11' ' ' ILE . 50.3 mm -73.31 -40.22 56.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.345 -0.389 . . . . 0.0 109.969 177.241 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.541 HD11 HG21 ' A' ' 137' ' ' ILE . 95.0 mt -56.41 -43.32 79.24 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.392 178.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -60.43 -47.88 84.2 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.485 177.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -57.37 -39.96 77.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.741 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 7' ' ' ILE . 72.5 mt -59.63 -48.95 85.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.872 0.367 . . . . 0.0 110.6 178.069 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.8 ttp180 -65.32 -43.65 90.31 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.384 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.0 t -64.7 -48.3 85.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.315 -178.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 44.0 m80 -66.1 -28.59 68.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.557 0.218 . . . . 0.0 111.578 -177.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.4 -49.29 75.46 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.034 176.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.519 ' HB2' ' HG3' ' A' ' 117' ' ' PRO . . . -74.1 -26.98 60.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.886 0.374 . . . . 0.0 110.953 177.604 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -65.17 -38.52 90.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.109 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.54 -27.28 55.87 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.276 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.745 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 4.7 t80 -59.48 150.12 66.77 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.805 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.745 ' HA ' ' CG ' ' A' ' 19' ' ' TYR . 5.5 Cg_exo -78.41 -4.51 34.47 Favored 'Cis proline' 0 C--N 1.352 0.716 0 C-N-CA 124.703 -0.957 . . . . 0.0 114.002 5.032 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -75.41 152.79 37.95 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -72.31 111.7 7.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.336 0.589 . . . . 0.0 110.666 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.8 -81.19 0.43 Allowed Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.533 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 58.0 m 66.8 160.04 0.14 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.261 0.553 . . . . 0.0 111.487 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.479 ' HA2' ' N ' ' A' ' 45' ' ' ALA . . . 176.9 -175.29 47.59 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.204 -0.998 . . . . 0.0 112.674 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -120.17 153.39 36.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.785 0.326 . . . . 0.0 110.215 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.9 mt -94.04 121.98 36.08 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.603 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.563 HD22 ' HB2' ' A' ' 71' ' ' ALA . 62.6 mt -104.08 131.84 50.94 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.102 0.477 . . . . 0.0 110.012 -178.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.473 ' HA2' HD13 ' A' ' 76' ' ' LEU . . . 178.3 -148.28 8.4 Favored Glycine 0 N--CA 1.442 -0.956 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -178.271 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.483 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -137.09 147.18 45.91 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.259 179.123 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.5 t -97.88 123.88 50.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 174.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 59.4 p -79.92 172.5 13.69 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.374 0.607 . . . . 0.0 111.66 -174.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -59.86 -36.56 77.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.072 172.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -76.94 -3.99 41.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.127 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.27 25.91 35.23 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.271 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -85.47 133.59 34.09 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 121.104 0.478 . . . . 0.0 110.02 177.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -98.88 103.16 15.09 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 174.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 30' ' ' THR . 29.6 ptt180 -112.24 143.75 42.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.296 0.57 . . . . 0.0 110.294 -176.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.0 t -114.74 120.26 63.88 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.638 -173.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -114.92 -8.88 12.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.554 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.503 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -149.17 150.4 32.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.863 0.363 . . . . 0.0 111.223 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.8 mt -121.1 156.62 31.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.193 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -163.38 132.33 3.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.36 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -71.96 137.24 47.18 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 174.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.824 ' HB1' ' HB3' ' A' ' 63' ' ' ASP . . . -53.33 -77.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.742 0.651 . . . . 0.0 112.552 -171.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.17 122.6 17.44 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 120.878 0.371 . . . . 0.0 110.248 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.481 HD22 ' CG ' ' A' ' 62' ' ' ASP . 0.8 OUTLIER -72.7 -42.2 64.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.442 -176.682 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 66.67 -10.92 0.26 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.593 0.757 . . . . 0.0 112.954 174.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.406 ' H ' ' C ' ' A' ' 47' ' ' ASN . 25.2 ttt85 -81.22 -38.12 27.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.943 0.402 . . . . 0.0 110.471 -177.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.6 t -129.27 149.73 50.94 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 174.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -77.47 -38.92 48.26 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 71.84 -8.13 1.16 Allowed 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.283 -0.871 . . . . 0.0 112.256 173.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.574 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 24.1 ttm180 -46.18 -60.21 2.44 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 122.932 0.493 . . . . 0.0 111.484 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.7 m 66.36 -68.15 0.14 Allowed 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 177.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -137.55 -53.31 0.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.722 0.296 . . . . 0.0 110.366 -175.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.574 ' O ' ' HG3' ' A' ' 53' ' ' ARG . 66.2 mtt-85 -79.66 168.19 19.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.95 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -87.64 122.88 31.88 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 177.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.747 ' HG2' ' H ' ' A' ' 60' ' ' THR . 0.7 OUTLIER -64.67 -27.32 68.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.386 -176.311 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.537 ' O ' HG22 ' A' ' 60' ' ' THR . 33.1 tp 59.98 31.88 20.86 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 121.171 0.51 . . . . 0.0 110.061 -179.108 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.747 ' H ' ' HG2' ' A' ' 58' ' ' GLU . 0.6 OUTLIER 61.24 20.13 10.73 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.996 177.896 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.89 71.72 0.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.033 0.444 . . . . 0.0 111.315 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.481 ' CG ' HD22 ' A' ' 47' ' ' ASN . 13.9 t70 -97.63 -24.5 15.49 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.505 0.669 . . . . 0.0 110.298 178.299 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.824 ' HB3' ' HB1' ' A' ' 45' ' ' ALA . 5.1 m-20 -46.44 -57.49 4.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.15 -1.386 . . . . 0.0 113.284 -172.189 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -68.62 -42.65 77.78 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.41 -175.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.6 mtp85 -56.75 -39.77 74.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.636 0.255 . . . . 0.0 111.676 -175.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.88 -36.08 67.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.966 0.412 . . . . 0.0 111.237 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.23 -39.29 78.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.24 -40.2 95.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.738 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.22 -48.59 64.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.833 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.0 -34.08 74.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.114 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.563 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -61.03 -51.39 69.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.883 0.373 . . . . 0.0 110.462 176.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -64.17 -33.03 74.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.489 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -57.95 -43.73 86.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.061 0.458 . . . . 0.0 111.92 174.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -84.63 -12.21 54.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.843 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.72 33.0 31.75 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.81 -0.71 . . . . 0.0 111.441 -176.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.473 HD13 ' HA2' ' A' ' 29' ' ' GLY . 81.4 mt -125.52 -176.57 3.63 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.355 -0.422 . . . . 0.0 110.038 -177.265 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -136.63 177.45 7.84 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 174.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 42.8 t -85.3 111.07 20.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.432 -178.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.9 m -98.89 -10.28 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.494 -176.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.418 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -177.57 178.7 48.37 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.264 -179.213 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.6 t -135.48 154.53 35.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.596 ' HB3' ' HB ' ' A' ' 108' ' ' VAL . 54.0 p90 -142.35 140.2 32.02 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.086 0.469 . . . . 0.0 110.624 178.453 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -145.8 153.94 41.46 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.9 m -102.1 155.69 18.03 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 120.868 0.366 . . . . 0.0 110.689 -170.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.459 ' HB3' ' HB2' ' A' ' 88' ' ' HIS . 19.9 m170 -110.59 89.21 8.66 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.73 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.437 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 17.0 Cg_endo -58.86 120.8 8.89 Favored 'Trans proline' 0 C--O 1.237 0.473 0 C-N-CA 121.947 1.765 . . . . 0.0 111.071 174.573 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.437 ' HB3' ' O ' ' A' ' 86' ' ' PRO . 27.1 t70 76.41 -38.48 0.33 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.647 0.779 . . . . 0.0 111.863 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.459 ' HB2' ' HB3' ' A' ' 85' ' ' HIS . 29.3 m80 -78.92 154.6 77.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 120.71 0.29 . . . . 0.0 110.575 177.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 88' ' ' HIS . 3.6 Cg_exo -82.18 -174.14 2.0 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.719 2.28 . . . . 0.0 112.04 176.113 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.1 -165.89 0.14 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.156 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.403 ' HG2' ' HZ2' ' A' ' 123' ' ' TRP . 54.6 mtt85 66.64 144.43 0.09 OUTLIER Pre-proline 0 CA--C 1.532 0.279 0 C-N-CA 123.241 0.616 . . . . 0.0 110.796 -176.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.66 125.65 13.58 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.494 2.129 . . . . 0.0 112.452 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.1 m -84.52 -177.86 6.73 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.935 175.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.33 83.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.734 0.302 . . . . 0.0 111.054 -178.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.8 m -64.02 -38.48 91.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.173 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.07 -42.96 99.47 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.922 0.391 . . . . 0.0 110.363 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.8 tt -68.96 -43.41 75.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.014 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -62.43 -39.1 92.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.23 -177.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -98.3 17.44 18.74 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.717 -177.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.505 ' HB1' HD22 ' A' ' 125' ' ' LEU . . . -85.31 78.93 9.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 109.603 173.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.4 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 4.5 m -83.35 -26.38 30.57 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.315 -0.857 . . . . 0.0 112.177 -172.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -120.32 88.7 42.46 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -169.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 101' ' ' THR . 13.5 Cg_exo -67.97 -178.92 1.86 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.822 2.348 . . . . 0.0 111.978 177.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 91.11 -40.66 2.95 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.686 -177.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.418 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 95.8 m-85 -77.69 152.81 33.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.684 0.278 . . . . 0.0 110.268 176.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.7 m -91.33 123.67 34.94 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 176.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.423 ' CD2' ' HE2' ' A' ' 132' ' ' PHE . 82.4 m-85 -93.07 117.0 29.57 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.185 -179.313 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.596 ' HB ' ' HB3' ' A' ' 82' ' ' TYR . 97.6 t -103.52 120.71 53.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.193 0.52 . . . . 0.0 110.516 177.353 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 29.9 mm -110.52 117.77 55.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.496 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.489 ' HA ' ' HA ' ' A' ' 120' ' ' LEU . 6.5 p -112.55 134.22 55.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.425 0.631 . . . . 0.0 111.017 -178.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.777 ' HB2' ' HB3' ' A' ' 118' ' ' GLU . 49.7 m -81.0 118.02 22.11 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.551 177.613 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 55.9 t -121.12 115.12 45.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 174.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.3 ttt85 -117.86 75.0 0.97 Allowed 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 120.573 -0.451 . . . . 0.0 109.892 -175.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.633 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 19.0 t70 48.69 86.89 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 114.669 -1.15 . . . . 0.0 112.087 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.531 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 82.0 -37.64 2.53 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.702 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -104.7 104.5 46.13 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 121.002 0.429 . . . . 0.0 112.025 -176.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.531 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 3.3 Cg_exo -78.07 127.57 8.55 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 122.928 2.419 . . . . 0.0 111.277 172.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.777 ' HB3' ' HB2' ' A' ' 111' ' ' SER . 31.8 tt0 -73.61 -77.05 0.11 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.022 0.439 . . . . 0.0 110.387 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -154.22 159.72 41.48 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.101 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.571 ' H ' HD13 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -111.35 136.92 49.79 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 175.232 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 25.7 p -122.04 138.17 54.54 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.508 -177.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.04 136.97 47.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.922 0.392 . . . . 0.0 110.142 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.403 ' HZ2' ' HG2' ' A' ' 91' ' ' ARG . 77.3 m95 -135.31 145.16 47.21 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.283 -174.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -109.86 127.89 54.99 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.657 174.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.505 HD22 ' HB1' ' A' ' 100' ' ' ALA . 61.6 tp -85.26 130.26 34.64 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.02 135.75 95.31 Favored Pre-proline 0 N--CA 1.449 -0.501 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 174.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -58.04 -22.56 56.09 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.907 2.405 . . . . 0.0 112.636 -176.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -83.09 -4.51 58.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.215 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? 63.87 24.1 13.6 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.532 0.52 . . . . 0.0 110.554 -176.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 20.2 p -72.27 -50.97 23.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.636 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -163.8 -178.02 5.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.323 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.423 ' HE2' ' CD2' ' A' ' 107' ' ' TYR . 72.3 m-85 -106.2 154.19 21.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.169 173.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -123.31 142.4 50.99 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -69.86 137.89 52.08 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.769 -175.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -114.06 149.56 35.29 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.016 175.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -107.26 148.75 28.56 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 121.409 0.623 . . . . 0.0 111.467 -176.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.541 HG21 HD11 ' A' ' 8' ' ' LEU . 45.7 mm -92.4 113.33 27.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.235 174.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 0.5 OUTLIER -130.96 155.48 41.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -178.585 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 54.5 mtm180 -88.73 127.76 55.03 Favored Pre-proline 0 C--N 1.317 -0.835 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.862 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -64.56 173.86 5.02 Favored 'Trans proline' 0 C--O 1.238 0.489 0 C-N-CA 122.945 2.43 . . . . 0.0 112.696 -177.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.92 148.42 59.59 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.854 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.77 47.22 0.92 Allowed 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 123.403 2.736 . . . . 0.0 113.344 -176.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -160.9 -35.62 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.056 176.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . 50.08 74.79 0.75 Allowed Pre-proline 0 C--O 1.233 0.231 0 O-C-N 123.773 0.671 . . . . 0.0 111.437 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -63.91 129.24 24.04 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.141 1.894 . . . . 0.0 112.289 -175.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.423 ' H ' HD23 ' A' ' 146' ' ' LEU . 1.1 pt? -117.34 -170.9 1.94 Allowed 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.614 178.345 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.406 ' HG2' ' H ' ' A' ' 148' ' ' HIS . 21.0 tt0 -84.12 175.33 9.56 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' HIS . . . . . 0.406 ' H ' ' HG2' ' A' ' 147' ' ' GLU . 54.4 m80 -84.13 -167.6 1.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.65 0.262 . . . . 0.0 110.407 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -76.28 78.41 3.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.221 0.534 . . . . 0.0 110.155 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -94.33 -4.53 48.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.468 -178.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -71.91 94.18 1.42 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 175.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 70.0 t60 64.66 83.01 0.17 Allowed 'General case' 0 C--O 1.237 0.403 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.665 -175.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 . . . . . 0 C--O 1.245 0.864 0 CA-C-O 118.15 -0.928 . . . . 0.0 109.593 178.031 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.5 ttt . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 120.587 0.232 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.73 ' HB3' ' HG3' ' A' ' 140' ' ' PRO . 13.7 mptt -93.61 137.82 32.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.081 174.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.474 HG22 HG23 ' A' ' 137' ' ' ILE . 13.5 t -158.19 174.01 15.83 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 174.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.7 p -123.74 156.65 64.7 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.957 -177.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -51.58 -33.3 47.69 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.468 2.779 . . . . 0.0 112.483 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.489 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 3.8 m-20 -56.65 -49.55 74.72 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.479 178.067 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.543 ' O ' HG13 ' A' ' 11' ' ' ILE . 50.9 mm -66.67 -45.41 88.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.462 -177.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.464 HD11 HG21 ' A' ' 137' ' ' ILE . 98.2 mt -59.37 -42.33 91.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.384 -178.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -69.21 -41.35 77.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.543 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 55.6 mt-30 -57.75 -38.35 75.22 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.2 177.146 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 7' ' ' ILE . 78.9 mt -60.14 -41.26 86.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.767 0.318 . . . . 0.0 110.531 177.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.608 ' HG2' HD11 ' A' ' 120' ' ' LEU . 57.4 mtm180 -65.16 -49.69 68.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.651 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.9 t -66.29 -49.1 78.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.039 -176.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -67.47 -27.84 67.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.253 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.16 -49.52 52.47 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.002 176.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.41 -29.83 67.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.167 0.508 . . . . 0.0 110.445 177.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -60.0 -37.82 80.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.985 175.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.09 -43.75 77.81 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.33 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -58.64 145.67 76.57 Favored Pre-proline 0 N--CA 1.465 0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.206 -177.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -80.38 -3.45 42.03 Favored 'Cis proline' 0 CA--C 1.535 0.542 0 C-N-CA 123.859 -1.309 . . . . 0.0 113.75 4.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -80.95 176.4 9.85 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.56 139.24 32.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.223 0.535 . . . . 0.0 111.586 -174.221 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.8 -82.08 1.02 Allowed Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.731 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.492 ' O ' ' HA ' ' A' ' 44' ' ' ARG . 26.2 p 47.03 -166.42 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.915 0.886 . . . . 0.0 112.784 178.153 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 137.71 -152.53 21.71 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.357 -0.925 . . . . 0.0 112.742 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -120.37 166.71 13.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.912 0.387 . . . . 0.0 111.14 -173.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.409 HD13 HG21 ' A' ' 39' ' ' VAL . 64.4 mt -111.29 130.53 55.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.406 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.546 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 60.3 mt -114.47 144.95 42.51 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.556 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . 179.16 -162.37 29.19 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 119.691 -1.242 . . . . 0.0 113.093 179.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.5 p -110.16 158.63 18.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.341 -0.43 . . . . 0.0 110.681 -178.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.1 t -91.68 119.83 39.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 172.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.5 m -89.26 -47.66 7.9 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.586 0.708 . . . . 0.0 111.738 -166.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.45 ' HB2' ' H ' ' A' ' 36' ' ' ASP . 4.9 m-20 -101.22 2.69 40.21 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.184 -174.223 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.1 t70 61.98 28.48 17.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 122.797 1.284 . . . . 0.0 108.171 -170.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.25 -32.54 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 113.39 -1.732 . . . . 0.0 110.72 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.45 ' H ' ' HB2' ' A' ' 33' ' ' ASP . 43.4 t0 -112.42 153.93 26.59 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 174.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.455 ' HB2' ' HB ' ' A' ' 79' ' ' VAL . 28.3 p30 -109.39 150.88 27.41 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.874 -171.256 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.556 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 77.3 ttt180 -116.61 137.78 51.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.018 172.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.409 HG21 HD13 ' A' ' 27' ' ' LEU . 60.9 t -98.69 114.54 36.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.465 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.47 -10.63 8.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.254 -176.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.546 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -143.04 142.77 31.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.171 179.199 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.2 mt -108.89 141.55 40.79 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.576 -178.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -118.78 120.0 36.07 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 173.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.492 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 56.4 mtp180 -90.71 137.58 32.25 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 173.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.15 -39.42 63.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 123.237 0.336 . . . . 0.0 111.14 -176.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.4 m -67.89 -4.74 13.8 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -176.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -88.81 90.7 8.52 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.881 0.372 . . . . 0.0 110.663 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.578 ' HE ' ' HB3' ' A' ' 63' ' ' ASP . 4.7 mpt_? -104.55 164.0 12.06 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.251 -0.432 . . . . 0.0 109.871 175.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 73.43 110.27 0.07 Allowed 'General case' 0 N--CA 1.465 0.295 0 O-C-N 124.015 0.822 . . . . 0.0 111.244 177.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.0 t -137.87 149.36 46.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.588 178.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -84.72 86.64 7.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.491 0.662 . . . . 0.0 110.369 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -79.63 119.68 22.92 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.695 -1.139 . . . . 0.0 110.038 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -59.02 5.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.332 0.587 . . . . 0.0 110.745 -176.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.1 m -90.78 102.93 15.68 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.936 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -74.36 79.74 1.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.158 0.504 . . . . 0.0 110.909 -177.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.428 ' NE ' ' HA ' ' A' ' 56' ' ' ARG . 2.6 mmp_? -77.78 -45.65 23.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.266 178.298 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -128.85 153.77 47.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.68 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -89.4 13.29 14.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 123.327 0.392 . . . . 0.0 111.892 -171.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -93.96 101.41 13.47 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.949 0.404 . . . . 0.0 111.144 -177.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.7 p -115.33 -25.97 7.78 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.027 175.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.14 -20.63 59.31 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.049 175.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -78.01 113.48 15.96 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 173.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.578 ' HB3' ' HE ' ' A' ' 48' ' ' ARG . 2.1 p-10 -75.31 -18.57 60.0 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.876 -171.188 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -69.19 -48.07 63.12 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 172.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -36.75 84.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.882 174.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.48 ' HB3' ' HA ' ' A' ' 63' ' ' ASP . . . -68.82 -33.65 74.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.056 178.037 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.91 -41.52 78.07 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 120.944 0.402 . . . . 0.0 110.05 178.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -65.83 -43.32 88.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.753 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.523 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -60.99 -53.89 51.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.855 178.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.35 -36.03 77.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.938 0.399 . . . . 0.0 111.094 -178.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.526 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -63.8 -51.31 65.33 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.798 175.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -59.34 -41.88 90.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.419 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 75.3 mm-40 -55.87 -40.1 72.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.843 176.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -87.37 -7.15 58.07 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.15 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.08 27.69 36.47 Favored Glycine 0 N--CA 1.454 -0.125 0 C-N-CA 120.577 -0.821 . . . . 0.0 111.951 -178.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.3 mt -120.06 -173.16 2.49 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -152.5 177.39 10.68 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 169.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.0 t -78.97 110.5 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.901 0.381 . . . . 0.0 110.185 -177.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.455 ' HB ' ' HB2' ' A' ' 37' ' ' ASN . 27.4 m -99.3 -24.41 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.803 -175.528 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.454 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -165.38 -171.37 31.51 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 119.924 -1.132 . . . . 0.0 113.213 -177.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.8 t -137.58 159.65 34.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -139.22 136.34 34.88 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.234 0.54 . . . . 0.0 110.361 176.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -128.79 138.34 52.02 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.354 -176.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.9 m -105.24 155.86 18.66 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.909 0.385 . . . . 0.0 110.685 -174.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.455 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 60.1 m80 -131.97 143.08 47.53 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 175.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.614 ' O ' ' HA ' ' A' ' 113' ' ' ARG . 6.3 Cg_exo -80.13 -15.33 11.66 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.001 2.467 . . . . 0.0 112.971 -177.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -172.7 102.84 0.14 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.192 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.425 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 0.1 OUTLIER -176.62 149.72 0.91 Allowed Pre-proline 0 N--CA 1.466 0.358 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 177.507 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 88' ' ' HIS . 6.1 Cg_exo -75.59 62.14 6.26 Favored 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 122.552 2.168 . . . . 0.0 113.111 -178.216 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 46.72 30.25 1.13 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.406 1.082 . . . . 0.0 113.072 176.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.46 ' HB2' ' HD2' ' A' ' 92' ' ' PRO . 14.0 ptp180 -123.3 159.02 56.56 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.46 ' HD2' ' HB2' ' A' ' 91' ' ' ARG . 57.6 Cg_endo -70.67 155.06 63.69 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.643 2.229 . . . . 0.0 112.381 178.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.8 m -109.24 178.5 4.43 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 176.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.76 -43.73 72.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.009 0.433 . . . . 0.0 111.014 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 41.2 m -62.17 -38.64 89.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.666 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -62.44 -40.92 98.14 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.851 0.357 . . . . 0.0 110.336 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -68.5 -44.23 75.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.928 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -63.73 -33.03 74.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.081 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -88.88 -2.43 58.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.393 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.15 78.79 6.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.405 0.622 . . . . 0.0 110.705 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.3 m -110.01 0.62 18.56 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.462 0.649 . . . . 0.0 110.571 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -119.19 86.84 33.52 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.195 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -74.13 156.7 46.9 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.235 1.957 . . . . 0.0 111.834 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 120.98 -25.71 7.03 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.197 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.454 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 94.2 m-85 -100.6 154.56 18.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.874 0.369 . . . . 0.0 110.897 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 21.9 m -91.32 135.94 33.45 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 175.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -105.19 111.53 24.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.682 0.277 . . . . 0.0 110.753 -176.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 84.7 t -96.32 126.24 49.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.226 0.536 . . . . 0.0 110.402 176.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.4 mt -114.02 125.9 71.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.705 -178.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.609 HG23 ' HG ' ' A' ' 120' ' ' LEU . 5.6 p -116.11 128.82 73.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.648 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.6 m -88.49 107.65 18.99 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.926 176.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 86' ' ' PRO . 47.3 t -120.77 113.8 41.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 172.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.614 ' HA ' ' O ' ' A' ' 86' ' ' PRO . 41.9 mtt180 -97.23 95.98 8.1 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.641 -173.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 22.3 t70 60.85 21.84 11.96 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.965 176.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 121.11 -11.64 9.9 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.453 -0.879 . . . . 0.0 112.738 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -102.69 109.79 61.74 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.88 0.34 . . . . 0.0 111.057 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -73.92 122.13 7.47 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.53 2.153 . . . . 0.0 112.168 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -103.51 -75.9 0.6 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.557 -175.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -126.91 142.59 51.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.21 0.528 . . . . 0.0 111.63 -173.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.609 ' HG ' HG23 ' A' ' 110' ' ' VAL . 6.6 mp -119.7 138.35 53.35 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.402 176.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.691 HG21 HH11 ' A' ' 134' ' ' ARG . 3.9 m -150.12 156.65 42.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.856 0.36 . . . . 0.0 110.268 177.048 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -112.15 141.8 45.4 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.802 177.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -126.61 138.66 53.47 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.342 -176.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.33 130.08 52.19 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.331 176.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 47.5 tp -80.06 135.33 36.32 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.433 ' HB3' ' H ' ' A' ' 131' ' ' GLU . . . -55.41 142.52 59.81 Favored Pre-proline 0 C--N 1.328 -0.356 0 O-C-N 123.502 0.501 . . . . 0.0 109.903 177.254 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -27.98 -54.48 0.13 Allowed 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 124.963 3.775 . . . . 0.0 115.034 -172.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -125.82 69.78 1.19 Allowed 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.262 -0.575 . . . . 0.0 111.954 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 55.1 mtm180 58.18 32.08 21.57 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.858 166.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 15.5 m -84.81 -51.17 6.96 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.576 -176.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.433 ' H ' ' HB3' ' A' ' 126' ' ' ALA . 10.6 pt-20 -166.21 -178.61 4.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.43 -176.185 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -108.05 144.58 35.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.384 178.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -124.84 146.04 49.48 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.552 175.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.691 HH11 HG21 ' A' ' 121' ' ' THR . 10.7 tpp180 -69.59 137.04 51.99 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.114 -179.458 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -131.67 149.12 52.6 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.926 0.393 . . . . 0.0 110.021 178.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -93.42 157.5 16.19 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.506 -176.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.474 HG23 HG22 ' A' ' 3' ' ' THR . 2.4 mp -93.12 113.8 28.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.728 177.166 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.481 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 11.6 m -110.29 151.42 12.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.237 0.541 . . . . 0.0 110.714 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.51 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 86.1 mtt180 -106.12 137.81 19.49 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.625 -174.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.73 ' HG3' ' HB3' ' A' ' 2' ' ' LYS . 12.0 Cg_exo -69.77 135.46 30.48 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.882 2.388 . . . . 0.0 112.156 179.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -82.82 120.42 76.28 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.344 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -81.02 26.55 0.6 Allowed 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.681 2.254 . . . . 0.0 111.866 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -114.33 -0.32 13.88 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.544 -1.207 . . . . 0.0 110.591 -177.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -78.98 132.53 63.52 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.165 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -63.5 135.75 51.11 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.219 1.946 . . . . 0.0 111.86 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.467 ' H ' HD23 ' A' ' 146' ' ' LEU . 0.7 OUTLIER -89.74 141.27 28.77 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.269 -178.906 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -74.88 -178.43 3.73 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.866 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -95.92 88.4 4.9 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 172.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -80.69 146.98 30.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.239 -177.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -107.93 141.53 39.41 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.708 0.289 . . . . 0.0 111.207 -172.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.41 ' C ' ' H ' ' A' ' 153' ' ' HIS . 2.2 m170 -104.19 -85.23 0.47 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.177 174.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 70.87 -39.52 0.45 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.494 0.717 . . . . 0.0 111.022 -173.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' HIS . . . . . 0.41 ' H ' ' C ' ' A' ' 151' ' ' HIS . 46.7 p-80 . . . . . 0 C--O 1.242 0.679 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 174.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ttt . . . . . 0 N--CA 1.477 0.903 0 CA-C-O 120.71 0.291 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.488 ' HB3' ' HG3' ' A' ' 140' ' ' PRO . 12.4 mptt -111.04 135.73 51.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.132 173.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.1 t -157.79 164.34 37.13 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 175.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.0 p -99.07 152.42 37.78 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-O 120.862 0.363 . . . . 0.0 111.24 -176.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -57.15 -33.57 96.12 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.385 2.723 . . . . 0.0 113.192 -177.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.404 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 4.1 p-10 -65.38 -33.15 75.28 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.571 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.583 ' O ' HG13 ' A' ' 11' ' ' ILE . 47.1 mm -70.11 -45.67 75.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 177.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.2 mt -58.85 -41.21 86.46 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.754 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -61.3 -47.17 87.19 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.419 175.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 95.4 mt-30 -61.66 -30.63 70.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.58 177.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.583 HG13 ' O ' ' A' ' 7' ' ' ILE . 75.0 mt -65.41 -49.91 75.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 C-N-CA 121.213 -0.195 . . . . 0.0 111.083 178.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -64.78 -38.36 90.74 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 120.83 0.347 . . . . 0.0 110.952 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.6 t -66.16 -42.98 92.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.332 176.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -56.09 -34.59 66.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.279 177.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.06 -50.1 59.17 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.66 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.56 -35.9 63.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.734 0.302 . . . . 0.0 111.495 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -68.96 -35.26 76.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.323 -175.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.97 -29.02 60.79 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.908 -178.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -66.47 158.47 78.3 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.11 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -72.74 -3.46 13.28 Favored 'Cis proline' 0 C--N 1.351 0.683 0 C-N-CA 124.541 -1.025 . . . . 0.0 113.987 5.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -75.16 169.9 17.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.892 0.377 . . . . 0.0 111.015 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -91.09 128.68 37.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.097 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -126.21 54.14 0.77 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.417 -0.897 . . . . 0.0 113.332 -177.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.6 p -84.05 -178.14 6.88 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 175.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 165.11 -162.93 36.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.343 -0.932 . . . . 0.0 112.866 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.733 ' HB2' ' HE1' ' A' ' 43' ' ' HIS . 10.6 m-85 -116.75 161.2 19.62 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 -178.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.45 HD22 HG11 ' A' ' 39' ' ' VAL . 80.6 mt -97.31 133.77 41.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.845 -177.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.537 HD22 ' HB2' ' A' ' 71' ' ' ALA . 77.7 mt -112.39 136.09 52.29 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.041 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.06 -152.37 9.82 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.043 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.91 158.76 43.62 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 120.634 0.254 . . . . 0.0 111.114 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -94.79 131.27 42.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.909 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 47.1 p -86.23 164.07 17.39 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.566 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.592 ' OD2' ' HB3' ' A' ' 146' ' ' LEU . 76.1 m-20 -65.01 -13.9 59.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.658 0.266 . . . . 0.0 111.652 -177.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -78.0 -12.41 59.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.921 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.1 18.3 56.05 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.331 -174.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -117.21 161.17 19.9 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.6 p30 -105.59 147.63 28.2 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.823 0.821 . . . . 0.0 112.364 -172.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -116.2 110.08 18.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.948 -1.023 . . . . 0.0 109.58 174.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.45 HG11 HD22 ' A' ' 27' ' ' LEU . 57.9 t -83.85 118.42 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.08 -20.27 7.49 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -174.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.516 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -138.92 143.61 38.73 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.203 0.525 . . . . 0.0 111.91 -176.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.4 mt -116.44 155.7 28.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.791 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.733 ' HE1' ' HB2' ' A' ' 26' ' ' PHE . 32.7 p-80 -149.09 159.88 43.84 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.755 0.312 . . . . 0.0 110.322 173.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.2 mtm-85 -87.66 137.85 31.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.742 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.81 112.53 0.79 Allowed 'General case' 0 C--O 1.233 0.2 0 O-C-N 123.408 0.442 . . . . 0.0 110.497 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.1 m -103.67 129.44 50.99 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.537 -174.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 67.44 96.61 0.06 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.596 -1.184 . . . . 0.0 112.154 175.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 68.7 mtm180 -129.46 -22.01 3.1 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.853 174.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -109.74 104.53 13.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.465 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.5 m -68.29 111.56 4.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.834 -176.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -76.19 127.09 32.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.222 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.471 ' CD ' ' H ' ' A' ' 52' ' ' GLN . 0.5 OUTLIER -65.98 104.57 1.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.784 -173.296 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 46.04 -90.16 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 114.742 -1.117 . . . . 0.0 112.357 -176.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.9 t 43.7 33.11 0.64 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.195 0.998 . . . . 0.0 112.918 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.2 ttt85 72.26 -1.76 2.81 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.676 0.79 . . . . 0.0 111.469 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -80.78 -57.51 3.52 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 170.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.4 t80 56.85 31.63 19.95 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.728 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.429 ' H ' ' HG2' ' A' ' 58' ' ' GLU . 5.2 pt-20 -74.26 83.39 1.88 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.689 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.662 HD12 ' H ' ' A' ' 60' ' ' THR . 0.5 OUTLIER -63.8 -39.96 95.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.353 179.153 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.662 ' H ' HD12 ' A' ' 59' ' ' LEU . 0.5 OUTLIER -159.81 110.65 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.925 0.393 . . . . 0.0 110.272 175.433 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.458 ' O ' ' HD2' ' A' ' 65' ' ' ARG . . . -103.38 -60.91 1.49 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.08 178.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 70.34 129.02 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 O-C-N 124.074 0.859 . . . . 0.0 111.922 177.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -56.21 -38.48 71.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.788 -178.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -55.39 -42.73 74.4 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.287 -177.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.458 ' HD2' ' O ' ' A' ' 61' ' ' ALA . 62.2 mtt85 -66.98 -38.54 86.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.874 0.369 . . . . 0.0 111.541 -178.425 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.57 -41.7 75.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.297 176.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.64 -39.91 95.36 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.509 176.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -58.4 -44.86 89.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.753 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.06 -50.97 60.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.096 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.57 -35.44 80.49 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.339 -177.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.537 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -62.86 -51.93 65.09 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 177.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -40.14 82.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.571 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -56.46 -43.15 79.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.62 175.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -84.64 -2.02 56.88 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.2 -176.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.67 25.88 61.97 Favored Glycine 0 N--CA 1.454 -0.124 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.74 -178.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.4 mt -124.64 -178.67 4.21 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -144.23 170.18 16.47 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 173.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.6 t -80.3 110.59 16.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.2 m -106.22 -5.6 10.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.241 -0.436 . . . . 0.0 112.075 -174.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.496 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -178.18 -173.52 43.65 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.023 -1.084 . . . . 0.0 113.2 -179.01 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.443 ' HA ' ' HA ' ' A' ' 26' ' ' PHE . 3.4 t -137.55 158.64 34.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 -179.393 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -141.16 135.9 31.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.257 0.551 . . . . 0.0 110.937 176.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -148.18 153.0 38.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.81 177.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.416 ' HB3' HG13 ' A' ' 110' ' ' VAL . 9.6 p -103.96 156.33 17.94 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.995 0.426 . . . . 0.0 110.962 -174.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -120.43 88.56 42.67 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.473 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -76.99 -6.77 16.97 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.088 1.858 . . . . 0.0 111.43 173.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -89.86 -38.31 13.82 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.605 -1.179 . . . . 0.0 110.877 -177.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.448 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 68.8 m80 -139.81 143.57 35.29 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.863 -179.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 88' ' ' HIS . 18.8 Cg_exo -67.73 97.62 0.47 Allowed 'Trans proline' 0 C--O 1.238 0.477 0 C-N-CA 122.565 2.177 . . . . 0.0 112.13 178.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 65.57 -175.55 0.18 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.719 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.52 155.12 0.06 OUTLIER Pre-proline 0 N--CA 1.479 0.986 0 C-N-CA 125.195 1.398 . . . . 0.0 113.744 178.535 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -84.66 151.85 11.59 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.544 2.163 . . . . 0.0 113.057 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.5 m -104.05 -175.44 2.8 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.701 176.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.669 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -64.43 -49.25 72.24 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -174.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.418 ' HA ' ' OE1' ' A' ' 98' ' ' GLU . 26.4 m -73.84 -32.1 63.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.155 0.502 . . . . 0.0 110.338 -178.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.08 -38.02 81.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.729 175.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.3 tt -70.09 -39.75 75.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.456 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.669 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 49.2 mt-10 -60.81 -39.02 87.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.433 -176.496 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -80.04 -11.51 59.77 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.131 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.15 99.49 5.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.248 0.547 . . . . 0.0 110.044 176.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.478 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 3.5 m -131.08 29.09 4.72 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.602 0.715 . . . . 0.0 110.076 -177.205 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.432 ' HB3' ' CD1' ' A' ' 105' ' ' PHE . 65.4 m-85 -114.57 86.15 12.21 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.306 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.478 ' HD3' ' O ' ' A' ' 101' ' ' THR . 16.9 Cg_exo -67.84 125.31 12.99 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.665 2.244 . . . . 0.0 112.014 -179.51 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.46 -10.15 49.72 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.682 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.496 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 13.2 m-85 -96.46 138.57 33.85 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 86.9 m -92.62 130.86 38.13 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.486 ' CD2' ' HE1' ' A' ' 132' ' ' PHE . 98.8 m-85 -100.43 113.62 26.53 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.01 0.433 . . . . 0.0 110.432 -177.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 90.5 t -95.33 119.61 43.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.45 0.643 . . . . 0.0 109.324 175.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 78.9 mt -110.2 118.43 57.0 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.124 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.771 -178.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.416 HG13 ' HB3' ' A' ' 84' ' ' SER . 5.0 p -103.66 129.31 55.89 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.323 178.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.515 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 13.2 t -81.54 105.24 12.55 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.389 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 60.3 t -122.68 114.2 41.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 176.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -94.67 73.85 3.68 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 121.589 0.709 . . . . 0.0 109.7 -175.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.7 t70 52.7 62.78 2.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 113.825 -1.534 . . . . 0.0 110.944 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.423 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 105.64 -27.0 19.54 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.458 177.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.4 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . . . -93.57 109.93 43.94 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 111.525 0.194 . . . . 0.0 111.525 -177.551 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 4.2 Cg_exo -74.56 111.35 3.29 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.997 2.465 . . . . 0.0 111.576 177.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.515 ' HB3' ' HB3' ' A' ' 111' ' ' SER . 45.0 tt0 -91.03 -71.0 0.65 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 -176.185 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -152.7 158.82 42.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.114 0.483 . . . . 0.0 111.814 -176.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 39.6 mt -102.91 138.89 39.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.392 176.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.7 p -139.66 131.0 26.78 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 176.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.54 135.36 50.66 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.861 0.363 . . . . 0.0 110.269 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -130.21 136.98 49.82 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.023 -173.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.79 135.56 45.94 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.696 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 60.4 tp -89.18 138.77 31.13 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.151 -177.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.75 138.74 97.0 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 174.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.98 -24.45 76.47 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.907 2.404 . . . . 0.0 112.634 -176.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -84.66 -8.28 58.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.75 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.515 ' NH2' ' HA ' ' A' ' 98' ' ' GLU . 2.0 tmt_? 62.33 81.69 0.19 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.467 -176.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 24.8 p -137.25 -57.51 0.71 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.541 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -140.52 177.89 7.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.334 0.588 . . . . 0.0 110.677 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.486 ' HE1' ' CD2' ' A' ' 107' ' ' TYR . 89.0 m-85 -112.27 145.5 39.86 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.351 175.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -124.1 136.52 54.29 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.069 0.462 . . . . 0.0 110.55 175.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 134' ' ' ARG . 9.3 tpt180 -57.59 138.47 55.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.12 -177.608 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -124.7 161.8 25.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.693 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -102.04 148.1 25.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.088 0.471 . . . . 0.0 111.56 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 49.4 mm -97.82 115.07 36.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.275 176.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 1.4 t -120.68 155.01 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.201 0.524 . . . . 0.0 110.503 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.426 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 56.8 mtm180 -96.88 137.87 21.34 Favored Pre-proline 0 C--N 1.316 -0.884 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.786 178.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.488 ' HG3' ' HB3' ' A' ' 2' ' ' LYS . 16.5 Cg_exo -66.76 109.28 1.62 Allowed 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.817 2.344 . . . . 0.0 113.007 -177.551 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -85.54 102.16 2.32 Favored Pre-proline 0 C--N 1.33 -0.275 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 172.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' PRO . . . . . 0.452 ' HD3' ' O ' ' A' ' 140' ' ' PRO . 93.3 Cg_endo -83.47 40.79 0.97 Allowed 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.877 2.385 . . . . 0.0 113.321 -169.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -120.41 -16.32 8.41 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.91 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.435 ' HA ' ' HD3' ' A' ' 145' ' ' PRO . . . -74.72 126.63 88.3 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.435 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 144' ' ' ALA . 21.5 Cg_exo -64.1 136.99 54.77 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.563 2.175 . . . . 0.0 112.002 179.193 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.592 ' HB3' ' OD2' ' A' ' 33' ' ' ASP . 80.7 mt -91.36 -164.01 1.12 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.2 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.78 142.81 27.55 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.914 0.387 . . . . 0.0 110.725 -178.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -90.44 7.44 38.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.327 -170.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -64.08 150.08 46.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.866 0.365 . . . . 0.0 111.006 176.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -101.54 123.97 46.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.178 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.415 ' O ' ' HB2' ' A' ' 152' ' ' HIS . 31.9 m80 -81.84 153.59 26.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.668 -175.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' ' 151' ' ' HIS . 9.2 t-80 173.98 -31.78 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.57 177.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 . . . . . 0 C--O 1.251 1.163 0 CA-C-O 118.039 -0.981 . . . . 0.0 109.961 174.187 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ttt . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.739 0.305 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.515 ' HD2' HG23 ' A' ' 138' ' ' VAL . 0.1 OUTLIER -107.35 137.21 45.82 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 178.892 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.9 t -153.86 173.04 16.44 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.507 -176.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.455 ' HB ' ' HD2' ' A' ' 5' ' ' PRO . 40.0 p -120.04 163.8 26.05 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.918 -177.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.455 ' HD2' ' HB ' ' A' ' 4' ' ' THR . 32.6 Cg_exo -56.44 -34.53 94.86 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.123 2.549 . . . . 0.0 111.81 177.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -54.03 -46.1 71.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.971 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.465 ' O ' HG13 ' A' ' 11' ' ' ILE . 48.6 mm -75.65 -42.54 41.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.648 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.3 mt -56.39 -43.21 79.07 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.548 -178.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.431 ' O ' HG23 ' A' ' 13' ' ' VAL . 9.5 t70 -63.29 -45.37 91.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.734 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -60.74 -41.94 96.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.533 177.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 7' ' ' ILE . 83.6 mt -59.42 -50.08 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.134 0 CA-C-N 116.735 -0.211 . . . . 0.0 111.219 -179.366 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -66.11 -33.08 74.97 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.258 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 9' ' ' ASP . 73.5 t -69.05 -47.27 76.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.913 0.387 . . . . 0.0 110.356 176.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -65.74 -27.66 68.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.045 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.01 -45.04 96.93 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.991 173.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.9 -33.48 66.04 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.281 0.562 . . . . 0.0 110.619 177.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -61.7 -36.36 80.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.085 175.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.24 26.95 1.3 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.744 -1.117 . . . . 0.0 111.82 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.576 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -103.69 147.74 34.71 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 176.511 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.576 ' HA ' ' CG ' ' A' ' 19' ' ' TYR . 11.5 Cg_exo -71.09 -20.8 11.97 Favored 'Cis proline' 0 C--N 1.351 0.671 0 C-N-CA 123.984 -1.257 . . . . 0.0 113.404 2.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -167.79 175.02 7.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.553 0.216 . . . . 0.0 111.036 176.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 70.05 129.67 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 O-C-N 124.283 0.99 . . . . 0.0 111.09 -175.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.5 0.94 2.26 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -175.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.3 m -65.9 150.85 47.94 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.91 -164.53 14.5 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.941 -177.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -107.89 152.56 24.25 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.972 0.415 . . . . 0.0 110.989 -174.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.0 mt -94.35 126.75 39.8 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.678 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.5 mt -104.58 131.49 51.93 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.144 0.497 . . . . 0.0 110.227 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . -177.25 -159.41 22.36 Favored Glycine 0 N--CA 1.441 -1.008 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.556 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.84 150.55 48.36 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.987 0.422 . . . . 0.0 111.584 179.033 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.689 HG12 ' H ' ' A' ' 33' ' ' ASP . 59.7 t -89.73 134.2 29.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 174.077 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 33' ' ' ASP . 30.2 p -87.35 3.08 48.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.972 0.415 . . . . 0.0 111.954 -173.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.689 ' H ' HG12 ' A' ' 31' ' ' VAL . 38.1 m-20 73.68 -11.54 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 123.941 0.896 . . . . 0.0 111.942 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -69.74 -22.07 63.4 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.435 0.635 . . . . 0.0 109.48 174.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.56 -14.47 8.14 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.97 -176.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -97.86 167.93 10.62 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 120.876 0.37 . . . . 0.0 110.029 -178.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.527 HD22 ' HB ' ' A' ' 79' ' ' VAL . 20.3 p-10 -132.53 128.9 38.29 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.177 -177.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.403 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 20.4 ptt180 -105.76 143.39 33.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.271 0.557 . . . . 0.0 110.099 -178.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.6 t -101.98 123.32 55.11 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.985 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.52 -30.22 7.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.538 -176.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -148.04 169.59 19.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.991 0.424 . . . . 0.0 110.835 -178.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.6 mt -121.16 147.43 45.59 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.356 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -118.12 122.09 42.19 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.001 0.429 . . . . 0.0 109.997 174.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.1 mtt180 -96.12 137.63 34.91 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.276 -178.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.22 69.26 2.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.28 0.562 . . . . 0.0 110.436 177.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' A' ' 47' ' ' ASN . 13.6 t -165.3 142.45 5.79 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.856 178.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 46' ' ' THR . 63.0 t30 174.63 117.07 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.093 -178.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -86.24 -51.06 6.51 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.094 0.473 . . . . 0.0 109.757 -176.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 46.9 mtt85 -156.59 156.53 33.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.895 177.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.4 t -59.67 -59.23 5.77 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 123.453 0.471 . . . . 0.0 110.878 -179.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -177.12 -76.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -177.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -161.13 70.49 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.275 171.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.86 92.94 4.38 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.033 174.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.9 m -67.42 109.49 3.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.1 -177.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 1.0 ' HD2' ' HB3' ' A' ' 58' ' ' GLU . 11.9 ptp85 -138.31 168.58 19.46 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.604 -178.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.5 mtp180 -96.31 -28.23 14.59 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 177.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -119.37 103.53 9.55 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.839 -0.345 . . . . 0.0 111.799 -171.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 1.0 ' HB3' ' HD2' ' A' ' 55' ' ' ARG . 11.7 pt-20 -148.26 125.96 11.83 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.299 0.571 . . . . 0.0 110.159 171.187 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 97.8 mt -102.08 -38.25 7.81 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.164 177.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.5 m 58.61 33.22 22.92 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 122.024 0.916 . . . . 0.0 109.862 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -99.48 145.14 27.78 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.346 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.1 t70 74.76 117.27 0.06 Allowed 'General case' 0 N--CA 1.467 0.395 0 O-C-N 124.339 1.024 . . . . 0.0 110.7 -177.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -79.51 -22.58 43.77 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.433 -175.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -66.61 -44.88 80.92 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.416 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -59.74 -36.87 77.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.275 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.24 -36.92 74.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.638 177.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.92 -40.7 87.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.094 0.473 . . . . 0.0 109.918 176.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -58.6 -46.24 87.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.06 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.55 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -59.56 -53.67 55.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.941 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.81 -33.43 75.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.96 0.41 . . . . 0.0 110.82 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.02 -49.47 72.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.866 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 12.6 pt20 -68.49 -32.07 71.79 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.51 -179.084 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 48.6 mt-10 -61.64 -43.82 98.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.181 0.515 . . . . 0.0 111.18 175.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -83.13 -26.3 31.11 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.06 -177.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.57 33.23 7.23 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.367 -176.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.2 mt -121.47 174.65 6.63 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -132.79 173.83 10.96 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.2 t -84.6 102.65 10.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -178.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.527 ' HB ' HD22 ' A' ' 37' ' ' ASN . 29.9 m -87.51 -9.82 10.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.624 -176.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.428 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . 168.19 -169.06 41.25 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.178 -1.01 . . . . 0.0 112.924 179.204 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.9 t -136.32 151.38 28.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -178.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -123.66 143.38 50.29 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.581 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -133.22 149.68 51.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.918 -175.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.2 m -105.64 128.81 53.85 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.246 178.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -110.54 150.49 41.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.87 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.83 -162.82 0.05 OUTLIER 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 123.509 2.806 . . . . 0.0 112.843 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -73.34 49.31 0.27 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.726 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 11.6 m80 -147.58 165.73 17.94 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.016 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -45.49 147.19 2.85 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 123.48 2.787 . . . . 0.0 114.174 -176.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.14 14.27 11.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.698 -176.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -77.58 147.82 75.67 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 175.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -59.87 127.52 23.7 Favored 'Trans proline' 0 N--CA 1.463 -0.266 0 C-N-CA 122.839 2.359 . . . . 0.0 112.508 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.8 t -82.24 -173.16 4.38 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 175.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.75 -42.56 89.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.756 0.313 . . . . 0.0 110.549 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.6 m -69.63 -41.9 75.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.189 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.04 -41.54 88.09 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 176.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.67 -45.74 88.76 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.992 177.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.22 -30.5 69.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.584 -0.734 . . . . 0.0 112.02 -176.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -82.7 -16.2 49.02 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.917 0.339 . . . . 0.0 111.917 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.453 ' HB1' HD22 ' A' ' 125' ' ' LEU . . . -77.13 78.4 3.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.239 0.542 . . . . 0.0 110.691 178.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.3 m -105.69 -17.33 14.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.965 -179.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -109.41 88.79 6.46 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.183 0.516 . . . . 0.0 111.768 -174.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -71.96 162.23 42.47 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.597 2.198 . . . . 0.0 112.091 -177.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 106.77 -13.19 42.07 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.066 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.428 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 97.0 m-85 -109.55 148.19 31.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.858 0.361 . . . . 0.0 110.512 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.1 m -92.25 125.15 36.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.012 177.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -97.27 108.85 21.66 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.445 ' HA ' ' HA ' ' A' ' 122' ' ' ALA . 60.0 t -96.83 114.98 35.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 177.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.5 mt -113.71 128.69 70.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.999 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.3 p -109.61 135.87 47.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.054 0.454 . . . . 0.0 111.153 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.8 m -90.49 109.84 20.97 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.531 175.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 31.2 t -105.78 117.05 50.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.869 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 113' ' ' ARG . 20.2 mtp180 -98.02 91.02 5.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.191 -176.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.536 ' HA ' ' HE2' ' A' ' 19' ' ' TYR . 38.4 t70 70.7 -12.54 0.54 Allowed 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.865 177.383 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.416 ' H ' ' C ' ' A' ' 113' ' ' ARG . . . 151.06 -20.56 0.97 Allowed Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 110.374 -1.09 . . . . 0.0 110.374 -177.181 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -96.91 108.99 46.8 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.342 -0.429 . . . . 0.0 110.787 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -71.26 117.01 4.93 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.655 2.237 . . . . 0.0 111.344 177.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.405 ' OE1' ' HD2' ' A' ' 113' ' ' ARG . 88.5 tt0 -75.37 -64.15 1.13 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.008 0.432 . . . . 0.0 109.963 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -149.94 156.56 41.95 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.344 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.553 ' H ' HD13 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -119.5 139.94 51.29 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 175.391 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 22.5 p -124.72 145.72 49.54 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.87 -177.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.445 ' HA ' ' HA ' ' A' ' 108' ' ' VAL . . . -109.06 148.49 30.73 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.188 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.514 ' HB3' ' HD2' ' A' ' 132' ' ' PHE . 85.6 m95 -136.35 134.9 38.36 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.319 -174.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -105.22 126.69 52.37 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.182 174.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.453 HD22 ' HB1' ' A' ' 100' ' ' ALA . 57.1 tp -81.53 133.11 35.34 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.022 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.57 135.97 94.3 Favored Pre-proline 0 N--CA 1.45 -0.448 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 174.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -51.48 -33.59 47.98 Favored 'Trans proline' 0 N--CA 1.474 0.325 0 C-N-CA 123.148 2.565 . . . . 0.0 113.152 -174.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -84.68 6.61 23.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.538 -176.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? 64.05 19.11 11.61 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.496 0.498 . . . . 0.0 110.437 -176.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.4 p -72.59 -49.97 28.66 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.28 -173.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -154.08 179.85 8.54 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.091 0.472 . . . . 0.0 111.055 -175.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.514 ' HD2' ' HB3' ' A' ' 123' ' ' TRP . 11.6 m-85 -108.37 147.29 31.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.611 175.215 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -124.55 140.05 53.3 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 173.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -82.1 144.26 30.91 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 121.475 0.655 . . . . 0.0 112.054 -172.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -124.68 153.98 41.49 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.692 -1.14 . . . . 0.0 108.433 175.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -122.75 179.43 4.63 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 -177.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 49.6 mm -93.5 114.06 29.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.085 0.469 . . . . 0.0 110.061 -178.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.515 HG23 ' HD2' ' A' ' 2' ' ' LYS . 0.2 OUTLIER -125.47 142.5 42.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.33 -179.043 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 57.5 mtp85 -79.56 148.23 69.29 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.2 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.435 ' HG3' ' HB3' ' A' ' 2' ' ' LYS . 4.9 Cg_exo -74.17 94.17 0.9 Allowed 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 122.296 1.997 . . . . 0.0 110.523 169.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -123.95 114.37 28.09 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.277 -177.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -86.09 30.92 0.48 Allowed 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 123.033 2.489 . . . . 0.0 113.358 -174.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -112.89 -5.56 13.84 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.44 177.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -72.85 124.2 90.45 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.955 175.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -63.78 133.12 37.68 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.415 2.077 . . . . 0.0 112.341 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.56 144.91 45.87 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.779 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.48 146.08 31.56 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.478 -177.068 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.01 85.23 2.38 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.736 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 41.6 p-80 -63.45 117.61 6.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.853 -177.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -114.73 107.35 15.34 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.462 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -122.13 43.07 2.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.691 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -70.03 -13.38 62.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.599 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.24 -0.886 . . . . 0.0 109.402 173.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ttt . . . . . 0 N--CA 1.479 1.0 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.534 ' HA ' ' O ' ' A' ' 138' ' ' VAL . 4.5 mptp? -106.26 117.88 35.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.723 0.297 . . . . 0.0 110.918 177.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.8 t -161.03 173.83 14.65 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 174.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.0 p -102.37 148.08 34.92 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.621 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.03 -29.09 63.29 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.499 2.799 . . . . 0.0 112.85 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -55.27 -43.95 75.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.864 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.517 ' O ' HG13 ' A' ' 11' ' ' ILE . 49.5 mm -67.91 -42.0 85.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.422 179.061 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.575 HD21 HG12 ' A' ' 137' ' ' ILE . 92.7 mt -57.46 -41.71 81.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.772 178.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.681 ' HA ' HH11 ' A' ' 12' ' ' ARG . 15.5 t70 -64.11 -44.43 92.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.099 179.294 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -61.78 -31.17 71.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.88 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 7' ' ' ILE . 75.9 mt -62.46 -46.89 95.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.133 0.492 . . . . 0.0 109.948 175.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.681 HH11 ' HA ' ' A' ' 9' ' ' ASP . 21.3 mtp-105 -64.26 -39.25 93.56 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.03 178.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 9' ' ' ASP . 95.2 t -64.68 -47.2 89.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.57 176.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.591 ' HA ' ' HB3' ' A' ' 17' ' ' ASP . 28.7 m-70 -65.54 -27.31 68.35 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.551 ' HA3' HG21 ' A' ' 112' ' ' VAL . . . -61.15 -44.44 98.14 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.375 -0.917 . . . . 0.0 111.455 173.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.19 -29.81 63.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.226 0.536 . . . . 0.0 110.507 175.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.591 ' HB3' ' HA ' ' A' ' 14' ' ' HIS . 17.4 t70 -58.64 -37.4 75.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.284 176.262 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.29 97.45 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.029 177.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.608 ' OH ' ' HA ' ' A' ' 86' ' ' PRO . 25.3 m-85 -55.73 140.5 67.39 Favored Pre-proline 0 N--CA 1.464 0.235 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.9 -178.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -88.93 -2.21 62.41 Favored 'Cis proline' 0 CA--C 1.533 0.433 0 C-N-CA 123.775 -1.344 . . . . 0.0 113.293 0.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -78.28 173.2 12.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.175 0.512 . . . . 0.0 111.815 -174.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -89.83 129.44 36.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.23 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -163.29 105.24 0.25 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.2 -1.0 . . . . 0.0 113.194 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.2 p -102.22 -177.36 3.38 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 173.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -173.5 175.18 46.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 119.348 -1.406 . . . . 0.0 113.758 176.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.545 ' HB2' ' HE1' ' A' ' 43' ' ' HIS . 29.2 m-85 -120.39 157.4 29.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.3 -0.45 . . . . 0.0 110.463 -178.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 75.0 mt -95.01 131.17 41.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.338 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.412 HD22 ' HB2' ' A' ' 71' ' ' ALA . 88.7 mt -108.62 137.4 46.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.115 178.406 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.452 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . -173.25 -157.74 15.76 Favored Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -178.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.418 HG23 HD23 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -135.65 145.71 47.09 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 117.456 0.628 . . . . 0.0 112.005 178.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.627 HG12 ' H ' ' A' ' 33' ' ' ASP . 58.2 t -92.28 134.22 31.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 172.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.458 ' C ' ' H ' ' A' ' 34' ' ' ASP . 39.1 p -70.61 2.9 3.53 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -176.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.627 ' H ' HG12 ' A' ' 31' ' ' VAL . 32.5 t70 75.37 -28.55 0.19 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.925 0.89 . . . . 0.0 110.722 -177.488 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.458 ' H ' ' C ' ' A' ' 32' ' ' THR . 14.6 t70 -77.91 -35.65 50.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.899 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.28 -11.31 0.76 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.28 -0.962 . . . . 0.0 112.539 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -86.7 148.1 25.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.656 0.265 . . . . 0.0 110.302 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -122.32 134.01 54.66 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 173.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.452 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 10.7 ptm180 -115.97 145.48 42.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.399 0.618 . . . . 0.0 110.093 173.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 52.7 t -98.13 120.67 47.75 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.104 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.113 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.98 -30.73 7.39 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.297 -0.411 . . . . 0.0 112.048 -172.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -149.1 145.41 27.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.421 0.629 . . . . 0.0 112.124 -176.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.4 mt -103.64 145.14 30.5 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 173.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.545 ' HE1' ' HB2' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -133.46 135.74 44.7 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.026 -0.67 . . . . 0.0 110.831 179.897 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -93.98 135.14 35.63 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.9 175.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.13 105.17 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.83 0.348 . . . . 0.0 110.63 170.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 19.0 m -153.48 131.23 11.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.161 0.505 . . . . 0.0 110.908 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 27.2 p30 -158.64 152.89 23.99 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.914 176.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.9 mmm-85 -137.72 -8.49 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.847 0.356 . . . . 0.0 111.106 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -148.17 123.07 10.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.988 -171.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.3 m -70.34 132.72 46.09 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 170.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.467 ' CD ' ' H ' ' A' ' 51' ' ' GLU . 0.9 OUTLIER -74.12 147.68 42.49 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.09 0.472 . . . . 0.0 111.619 -171.298 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.549 ' O ' ' HB2' ' A' ' 53' ' ' ARG . 6.3 tp-100 -82.97 155.51 23.96 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 169.339 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.549 ' HB2' ' O ' ' A' ' 52' ' ' GLN . 51.5 mtt180 70.7 -179.43 0.23 Allowed 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.334 0.396 . . . . 0.0 110.24 -173.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.9 m 48.35 44.43 20.08 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.364 177.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -81.0 79.96 7.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.698 0.761 . . . . 0.0 111.966 -173.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.51 ' O ' HD22 ' A' ' 59' ' ' LEU . 1.9 mpt_? -122.3 93.32 3.94 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.491 171.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 25.2 p90 -70.88 143.05 51.14 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.322 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 56.63 84.43 0.09 Allowed 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.781 0.675 . . . . 0.0 111.723 -175.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.51 HD22 ' O ' ' A' ' 56' ' ' ARG . 2.6 pt? -136.78 -41.68 0.6 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.513 176.591 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.41 ' OG1' ' HG2' ' A' ' 65' ' ' ARG . 3.1 p -147.7 151.87 36.86 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.276 177.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' A' ' 65' ' ' ARG . . . -65.58 159.34 24.9 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.094 0.246 . . . . 0.0 110.83 178.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -67.04 162.7 21.56 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.0 t70 71.33 -51.21 0.69 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.85 0.86 . . . . 0.0 110.914 -171.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -58.67 -39.63 81.19 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 177.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.463 ' HE ' HD21 ' A' ' 59' ' ' LEU . 40.5 mtp-105 -55.83 -49.15 74.07 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.454 176.462 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.58 -33.96 76.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.593 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.476 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . . . -64.46 -43.94 92.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.193 177.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -68.24 -43.21 78.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.184 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.522 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -61.34 -52.61 63.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.198 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.64 -32.25 73.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.349 . . . . 0.0 110.621 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.412 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -62.56 -52.14 64.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.53 177.116 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -67.48 -31.49 71.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.585 0.231 . . . . 0.0 111.317 -178.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 38.5 mt-10 -61.97 -37.03 83.23 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.345 0.593 . . . . 0.0 111.064 175.073 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -92.19 -10.98 36.74 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.843 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.38 32.82 41.45 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.61 -175.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.418 HD23 HG23 ' A' ' 30' ' ' THR . 81.1 mt -118.29 179.68 4.04 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 123.27 0.628 . . . . 0.0 110.011 -179.101 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -139.74 178.11 7.47 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 174.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.4 t -89.65 101.16 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.812 0.339 . . . . 0.0 110.168 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.0 m -87.44 -15.98 9.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.982 -175.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.559 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -178.05 -169.91 39.55 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 119.868 -1.158 . . . . 0.0 113.416 -179.133 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 t -135.85 156.16 37.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.448 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 41.4 p90 -126.53 140.02 52.77 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.413 175.308 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -129.08 137.46 51.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.002 -178.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.4 p -116.81 126.69 53.45 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 173.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 56.8 m170 -88.97 141.2 29.38 Favored Pre-proline 0 C--N 1.325 -0.489 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.118 178.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.608 ' HA ' ' OH ' ' A' ' 19' ' ' TYR . 60.0 Cg_endo -99.03 -3.18 0.83 Allowed 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 123.405 2.737 . . . . 0.0 113.985 -177.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -130.01 -71.9 0.59 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.166 0.508 . . . . 0.0 111.013 -173.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -90.23 162.67 34.09 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.479 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.477 ' HA ' ' OG ' ' A' ' 111' ' ' SER . 38.8 Cg_exo -63.21 -163.76 0.05 OUTLIER 'Trans proline' 0 CA--C 1.534 0.512 0 C-N-CA 123.179 2.586 . . . . 0.0 114.124 -177.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.47 ' O ' ' HB3' ' A' ' 91' ' ' ARG . . . -67.8 -174.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.495 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.585 ' HG3' ' HD2' ' A' ' 92' ' ' PRO . 7.6 ttp180 66.89 141.26 0.07 OUTLIER Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.691 -172.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.585 ' HD2' ' HG3' ' A' ' 91' ' ' ARG . 28.4 Cg_endo -63.97 135.77 49.39 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.587 2.191 . . . . 0.0 113.293 -178.144 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.4 m -80.01 -177.11 5.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.062 173.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.64 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -62.71 -50.44 71.11 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.295 0.479 . . . . 0.0 112.295 -173.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.4 m -80.47 -32.25 37.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.046 0.451 . . . . 0.0 110.444 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -55.62 -41.51 73.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.873 173.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.639 ' HG ' ' HE1' ' A' ' 132' ' ' PHE . 8.4 tt -69.7 -44.03 71.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.528 176.346 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.64 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 53.3 mt-10 -59.1 -37.0 76.12 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.18 -175.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -79.35 4.96 13.73 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -176.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.583 ' HB1' HD22 ' A' ' 125' ' ' LEU . . . -77.76 76.18 4.29 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.414 0.626 . . . . 0.0 109.605 173.129 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 15.3 t -100.68 -5.23 26.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.91 -175.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -120.11 85.76 36.1 Favored Pre-proline 0 C--N 1.316 -0.858 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.024 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.577 ' HA ' ' OH ' ' A' ' 107' ' ' TYR . 6.0 Cg_exo -78.42 172.04 15.92 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.372 2.714 . . . . 0.0 112.577 -178.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 100.34 10.39 44.93 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.901 -0.666 . . . . 0.0 113.019 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.559 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 84.3 m-85 -122.26 162.95 20.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.711 0.291 . . . . 0.0 111.044 -178.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 37.6 m -92.15 116.97 29.4 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 170.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.577 ' OH ' ' HA ' ' A' ' 103' ' ' PRO . 30.9 m-85 -99.3 108.51 21.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.696 0.284 . . . . 0.0 110.565 -174.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 82' ' ' TYR . 58.2 t -97.1 115.31 36.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.487 HD12 ' HD3' ' A' ' 92' ' ' PRO . 65.5 mt -110.08 118.25 56.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.685 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.3 p -108.07 138.55 34.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.532 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.518 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 22.4 t -93.14 109.71 21.2 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.088 176.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.551 HG21 ' HA3' ' A' ' 15' ' ' GLY . 79.1 t -126.9 116.31 44.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.181 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -114.49 103.51 11.11 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.023 0.44 . . . . 0.0 110.685 -171.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 56.1 t0 49.53 57.87 6.03 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.857 -178.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 84.47 -6.45 76.92 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.611 -0.722 . . . . 0.0 113.461 175.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -106.48 109.06 62.87 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 117.12 0.46 . . . . 0.0 111.58 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.454 ' HB3' ' HB3' ' A' ' 12' ' ' ARG . 17.3 Cg_exo -68.53 120.62 7.55 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.866 2.377 . . . . 0.0 111.437 175.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.518 ' HB3' ' HB3' ' A' ' 111' ' ' SER . 44.5 tt0 -94.34 -69.5 0.75 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.245 -174.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -150.54 155.37 39.32 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.939 0.4 . . . . 0.0 111.933 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 28.4 mt -105.29 141.41 36.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.05 175.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 25.7 p -140.82 130.51 24.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.142 173.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -110.19 135.04 51.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.886 0.374 . . . . 0.0 110.413 178.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.425 ' CZ3' ' HB2' ' A' ' 134' ' ' ARG . 62.5 m95 -133.49 145.34 50.1 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.424 0.631 . . . . 0.0 112.062 -171.243 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -112.56 127.96 56.22 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.033 169.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.583 HD22 ' HB1' ' A' ' 100' ' ' ALA . 54.7 tp -81.65 140.25 34.5 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.757 0.313 . . . . 0.0 110.624 -177.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.527 ' O ' ' HG ' ' A' ' 125' ' ' LEU . . . -65.5 141.48 97.98 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 171.13 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.24 -24.81 43.66 Favored 'Trans proline' 0 N--CA 1.473 0.298 0 C-N-CA 122.746 2.298 . . . . 0.0 112.819 -176.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -106.33 12.72 29.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.086 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.442 ' HA ' HD11 ' A' ' 125' ' ' LEU . 38.3 ptt180 44.41 44.52 6.97 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.443 1.097 . . . . 0.0 113.15 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 62.1 m -81.48 -25.44 36.03 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.377 172.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -171.55 177.11 3.55 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.173 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.639 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 51.6 m-85 -110.97 153.39 25.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.248 172.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -123.34 132.77 54.1 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 175.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.425 ' HB2' ' CZ3' ' A' ' 123' ' ' TRP . 59.9 ttt-85 -79.66 142.35 35.63 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.837 -174.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -133.93 150.46 51.31 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 175.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -103.7 162.59 12.95 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -176.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.575 HG12 HD21 ' A' ' 8' ' ' LEU . 3.1 mp -85.77 119.03 33.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 121.001 0.429 . . . . 0.0 110.313 -177.392 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -109.16 145.42 15.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.401 176.923 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.444 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 27.8 mtm180 -74.58 144.54 80.79 Favored Pre-proline 0 C--N 1.318 -0.766 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.365 -176.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.599 ' O ' ' HD3' ' A' ' 142' ' ' PRO . 33.6 Cg_exo -61.31 137.97 73.9 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.546 2.164 . . . . 0.0 111.361 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -91.13 97.1 1.17 Allowed Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' PRO . . . . . 0.599 ' HD3' ' O ' ' A' ' 140' ' ' PRO . 92.9 Cg_endo -99.86 30.28 0.11 Allowed 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 123.357 2.704 . . . . 0.0 112.922 -171.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -115.53 -6.34 12.24 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.187 -177.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -86.56 144.29 37.38 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.632 175.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -51.67 132.84 42.66 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.562 2.174 . . . . 0.0 111.94 178.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.33 179.14 5.35 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.493 -173.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.96 154.58 26.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.224 177.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -74.22 -5.35 41.45 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.729 0.3 . . . . 0.0 110.325 -176.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 76.87 98.07 0.07 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.894 0.878 . . . . 0.0 111.379 174.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -79.61 89.86 5.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.269 177.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -155.45 116.05 3.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.176 178.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -77.09 116.13 17.47 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.571 -0.452 . . . . 0.0 109.988 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 . . . . . 0 C--O 1.245 0.831 0 CA-C-N 114.891 -1.049 . . . . 0.0 110.46 -172.405 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.604 ' HA ' ' O ' ' A' ' 36' ' ' ASP . 20.4 ttt . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 120.812 0.339 . . . . 0.0 110.742 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.468 ' HD2' ' HB ' ' A' ' 138' ' ' VAL . 0.3 OUTLIER -115.69 144.56 43.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.394 177.731 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.563 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 11.2 t -157.02 149.91 23.66 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.552 HG22 ' HG3' ' A' ' 140' ' ' PRO . 40.9 p -81.44 148.69 63.32 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-O 120.718 0.294 . . . . 0.0 111.2 -175.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.14 -27.43 84.87 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.543 2.162 . . . . 0.0 110.564 175.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.467 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 12.5 t0 -56.26 -49.77 73.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.969 174.374 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.561 ' O ' HG13 ' A' ' 11' ' ' ILE . 29.8 mm -68.06 -45.23 83.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.721 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 89.8 mt -57.43 -42.47 82.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.791 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -69.28 -38.88 78.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.156 0.503 . . . . 0.0 110.306 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 51.2 mt-30 -61.68 -38.6 88.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.127 175.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 7' ' ' ILE . 74.8 mt -63.82 -49.41 82.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 120.67 0.271 . . . . 0.0 111.176 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 12' ' ' ARG . 1.6 ptm180 -63.75 -37.63 88.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.97 -178.568 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.4 t -69.51 -40.41 79.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.909 0.385 . . . . 0.0 110.208 175.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -58.24 -35.55 71.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.49 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.24 -49.16 80.8 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.076 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.03 -26.69 62.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.98 0.419 . . . . 0.0 111.119 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -74.93 -38.88 61.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.219 -178.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.93 -34.3 26.59 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.746 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.551 ' HA ' ' N ' ' A' ' 21' ' ' GLU . 6.7 m-85 -69.47 162.35 67.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.073 -176.229 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.458 ' HA ' ' HB3' ' A' ' 19' ' ' TYR . 15.2 Cg_exo -68.56 -4.73 6.83 Favored 'Cis proline' 0 C--N 1.353 0.8 0 N-CA-C 114.601 0.962 . . . . 0.0 114.601 7.121 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.551 ' N ' ' HA ' ' A' ' 19' ' ' TYR . 28.8 mt-10 -73.96 135.75 43.22 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 176.712 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -75.06 89.28 2.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.01 0.433 . . . . 0.0 110.059 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.61 110.57 3.16 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.988 177.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.4 p -99.43 -179.84 4.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.689 0.281 . . . . 0.0 110.577 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 170.63 -157.98 29.42 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.171 -1.014 . . . . 0.0 112.837 177.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -134.84 165.18 25.89 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -176.072 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.3 mt -114.85 134.21 55.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.393 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.551 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 74.1 mt -116.16 144.52 44.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.887 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 175.02 -153.12 14.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 119.781 -1.2 . . . . 0.0 112.948 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.31 146.42 44.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.198 0.523 . . . . 0.0 111.397 -177.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.2 t -96.32 110.29 24.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.339 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.09 137.75 57.27 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.956 177.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.54 -22.63 65.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.029 0.442 . . . . 0.0 111.12 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -74.16 -18.56 60.76 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.175 178.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.76 25.25 27.99 Favored Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -172.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.604 ' O ' ' HA ' ' A' ' 1' ' ' MET . 12.7 t70 -79.82 -48.36 13.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.209 -0.495 . . . . 0.0 111.322 -176.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.44 ' OD1' ' HB ' ' A' ' 79' ' ' VAL . 5.4 t30 78.08 112.89 0.07 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.881 0.872 . . . . 0.0 111.273 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -115.94 109.65 17.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.819 -178.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.0 t -86.92 123.79 40.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.69 -7.2 6.8 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -174.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.551 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -144.38 143.3 30.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.974 0.416 . . . . 0.0 111.232 -178.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.6 mt -101.6 154.82 18.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.715 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -134.47 119.46 18.55 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.058 0.456 . . . . 0.0 110.468 174.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -83.93 138.33 33.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.551 174.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.76 108.27 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.142 0.496 . . . . 0.0 110.84 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.9 m -83.13 -3.7 57.61 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 122.156 0.979 . . . . 0.0 108.709 178.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.455 ' HB3' ' H ' ' A' ' 48' ' ' ARG . 19.5 m-80 65.31 -158.4 0.28 Allowed 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 113.849 -1.523 . . . . 0.0 112.246 175.413 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.588 ' HD2' ' N ' ' A' ' 48' ' ' ARG . 5.2 mpt_? -85.91 90.99 8.23 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.445 -169.132 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -137.02 109.66 7.5 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.015 174.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.7 t -161.44 125.47 3.35 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.007 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.452 ' CD ' ' H ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -64.69 -41.92 95.7 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 173.184 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 67.23 164.97 0.21 Allowed 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.989 172.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 64.36 39.1 7.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.471 0.653 . . . . 0.0 111.262 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.432 HG23 ' HG2' ' A' ' 56' ' ' ARG . 9.0 t -106.85 18.78 21.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.884 0.85 . . . . 0.0 108.798 174.007 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 61.82 79.7 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.122 -1.399 . . . . 0.0 111.567 -175.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.432 ' HG2' HG23 ' A' ' 54' ' ' THR . 14.1 ptm180 -178.98 -174.98 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.482 -1.235 . . . . 0.0 107.754 173.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -63.59 149.27 46.75 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.563 0.697 . . . . 0.0 111.462 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -82.27 -164.54 0.84 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.994 -175.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.435 HD21 ' HG3' ' A' ' 48' ' ' ARG . 49.4 tp -60.41 -44.29 95.88 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 175.081 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.8 m 60.31 78.03 0.3 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 114.839 -1.073 . . . . 0.0 112.765 170.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 58.51 97.27 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.816 173.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.4 t70 68.21 -161.61 0.2 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.977 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -87.64 63.7 7.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.543 0.687 . . . . 0.0 111.194 -175.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -71.12 -40.44 71.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.514 173.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -57.15 -48.6 78.29 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -172.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.44 -27.5 64.3 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.629 -178.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.75 -44.28 70.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.285 175.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.581 ' O ' ' HG2' ' A' ' 72' ' ' GLN . 14.3 t70 -64.71 -47.51 78.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.54 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.493 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -58.52 -53.43 58.39 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.469 -178.048 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.37 -32.66 74.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 110.843 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.51 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -63.95 -49.02 74.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.361 175.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.581 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 74.8 mm-40 -61.02 -39.58 90.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 110.661 178.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 50.9 mt-10 -57.49 -43.89 84.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.277 177.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -89.14 -4.29 58.34 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.329 -175.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.43 31.7 58.7 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.349 -0.929 . . . . 0.0 111.842 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.8 mt -125.37 -175.11 3.23 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.433 ' HA ' ' HB1' ' A' ' 71' ' ' ALA . 6.5 p-10 -140.41 175.29 9.72 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 171.23 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.412 ' HA ' HD23 ' A' ' 28' ' ' LEU . 23.9 t -78.89 100.0 3.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.824 -178.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.44 ' HB ' ' OD1' ' A' ' 37' ' ' ASN . 31.3 m -95.07 -3.96 10.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.676 -174.103 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -171.05 175.48 44.7 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 119.902 -1.142 . . . . 0.0 113.293 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.5 t -137.63 156.25 32.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.415 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 40.5 p90 -133.93 141.98 47.54 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.767 177.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -118.28 139.37 51.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.205 178.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.5 m -106.15 125.93 51.59 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 174.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.496 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 37.7 m170 -125.31 142.09 40.59 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-O 120.825 0.345 . . . . 0.0 110.659 -179.256 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 9.3 Cg_endo -91.74 129.6 1.14 Allowed 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.445 2.763 . . . . 0.0 113.004 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.433 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 23.2 t70 53.73 73.97 0.35 Allowed 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.851 173.139 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -154.78 163.26 24.98 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.909 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -70.75 6.9 1.44 Allowed 'Trans proline' 0 N--CA 1.475 0.414 0 C-N-CA 123.282 2.655 . . . . 0.0 113.087 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 67.26 78.35 0.25 Allowed 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 121.808 0.813 . . . . 0.0 110.389 -175.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -163.31 162.39 17.6 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 114.843 -1.071 . . . . 0.0 108.632 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.92 149.06 77.49 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.567 2.178 . . . . 0.0 112.598 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.8 m -94.45 162.91 13.63 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 173.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.653 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -55.65 -47.97 75.77 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -174.607 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 98.5 m -80.9 -31.42 35.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.656 0.265 . . . . 0.0 111.143 -178.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -60.34 -35.09 74.85 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 174.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.578 ' HG ' ' HE1' ' A' ' 132' ' ' PHE . 8.8 tt -69.4 -45.15 69.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.221 173.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.653 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 47.1 mt-10 -58.01 -40.12 79.98 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.642 -178.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -72.67 -13.82 61.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.87 0.367 . . . . 0.0 111.679 -176.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.23 86.96 4.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.444 0.64 . . . . 0.0 109.764 174.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.6 m -113.92 7.54 16.96 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.395 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -124.63 86.54 55.52 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.354 -177.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.63 160.55 47.57 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.874 2.383 . . . . 0.0 112.183 178.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 112.9 -12.86 24.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.625 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -107.29 144.49 34.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.444 -0.378 . . . . 0.0 110.264 178.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.4 HG21 ' SD ' ' A' ' 1' ' ' MET . 14.6 m -91.41 129.34 37.4 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 174.478 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.477 ' CD2' ' HE2' ' A' ' 132' ' ' PHE . 98.1 m-85 -104.38 117.36 34.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.937 0.399 . . . . 0.0 111.113 -175.018 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 82' ' ' TYR . 85.2 t -106.04 126.11 61.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.91 176.438 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.4 mt -116.2 126.09 73.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 120.998 0.428 . . . . 0.0 110.422 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.461 ' HB ' HD23 ' A' ' 120' ' ' LEU . 6.9 p -111.76 139.09 37.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.581 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.8 t -100.68 109.65 21.72 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.592 177.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 44.3 t -119.29 116.76 51.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 177.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.433 ' HG2' ' HA ' ' A' ' 87' ' ' ASP . 43.2 mtt180 -104.23 80.9 1.76 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.793 -176.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.8 t70 50.71 79.66 0.09 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 114.814 -1.084 . . . . 0.0 111.965 -176.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.529 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 80.61 -15.58 18.69 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.87 -0.681 . . . . 0.0 113.021 177.148 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -101.04 103.93 28.77 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.712 0.256 . . . . 0.0 111.646 -178.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.529 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 3.3 Cg_exo -77.04 111.59 3.25 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 123.174 2.583 . . . . 0.0 111.05 176.07 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -83.16 -67.94 0.75 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.365 -174.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -149.3 158.32 44.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.138 0.494 . . . . 0.0 111.669 -176.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.461 HD23 ' HB ' ' A' ' 110' ' ' VAL . 56.4 mt -112.72 122.31 47.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.745 176.101 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 40.7 p -119.99 131.48 55.17 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.639 0.257 . . . . 0.0 110.827 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.8 133.32 53.27 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.017 0.437 . . . . 0.0 109.829 178.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -126.78 138.75 53.41 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.015 -173.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -105.14 127.76 53.05 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.485 175.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 61.8 tp -83.77 137.72 33.6 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.85 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.58 135.44 63.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.93 175.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -52.87 -36.05 72.85 Favored 'Trans proline' 0 N--CA 1.473 0.312 0 C-N-CA 123.299 2.666 . . . . 0.0 113.361 -174.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -94.65 8.02 43.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.442 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? 63.2 97.12 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.384 0.611 . . . . 0.0 110.602 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 23.0 m -150.09 -48.63 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.424 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -153.62 172.28 17.47 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.053 -177.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.578 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 65.7 m-85 -107.77 147.93 30.17 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.752 177.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -124.87 145.15 49.95 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.127 0.489 . . . . 0.0 110.012 176.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -91.86 139.39 30.71 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.423 -178.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -133.04 163.05 30.1 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 175.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -87.64 147.81 25.1 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 3.4 mp -84.21 125.11 40.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.468 ' HB ' ' HD2' ' A' ' 2' ' ' LYS . 1.0 OUTLIER -109.15 154.83 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.107 0.48 . . . . 0.0 110.421 -177.299 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -80.59 152.8 73.05 Favored Pre-proline 0 C--N 1.317 -0.841 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.67 -178.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.563 ' HD3' ' O ' ' A' ' 3' ' ' THR . 16.7 Cg_endo -56.94 144.73 88.04 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.947 2.432 . . . . 0.0 112.182 -176.308 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' A' ' 142' ' ' PRO . 2.8 m-20 -46.87 111.96 1.75 Allowed Pre-proline 0 C--O 1.234 0.255 0 O-C-N 123.918 0.761 . . . . 0.0 111.071 -178.002 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 141' ' ' ASP . 31.9 Cg_exo -58.01 89.16 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 124.251 3.301 . . . . 0.0 114.624 -165.52 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.504 ' O ' ' HD3' ' A' ' 145' ' ' PRO . 43.4 mt-10 49.71 31.69 4.58 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.197 175.082 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -94.86 104.8 15.73 Favored Pre-proline 0 C--N 1.317 -0.846 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.128 178.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.504 ' HD3' ' O ' ' A' ' 143' ' ' GLU . 93.1 Cg_endo -93.88 158.63 2.26 Favored 'Trans proline' 0 N--CA 1.45 -1.044 0 C-N-CA 122.935 2.423 . . . . 0.0 112.848 -178.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 146' ' ' LEU . 6.5 mp -84.82 163.96 18.75 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 175.199 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.07 106.67 2.45 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 176.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' HIS . . . . . 0.438 ' O ' ' HB2' ' A' ' 149' ' ' HIS . 12.6 m80 -59.23 -44.31 92.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.894 -173.574 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' HIS . . . . . 0.438 ' HB2' ' O ' ' A' ' 148' ' ' HIS . 79.2 m80 68.22 -48.39 0.54 Allowed 'General case' 0 N--CA 1.472 0.635 0 O-C-N 123.574 0.547 . . . . 0.0 111.019 -172.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 3.0 t60 61.97 48.11 5.44 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.485 0.66 . . . . 0.0 109.699 -178.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.444 ' O ' ' HB3' ' A' ' 152' ' ' HIS . 11.1 t-80 -101.55 139.73 36.8 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.121 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.444 ' HB3' ' O ' ' A' ' 151' ' ' HIS . 50.7 t60 71.52 99.59 0.07 Allowed 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.852 0.72 . . . . 0.0 110.613 -177.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.535 -0.745 . . . . 0.0 109.982 174.574 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.547 ' HA ' ' OD1' ' A' ' 36' ' ' ASP . 1.2 tmt? . . . . . 0 N--CA 1.477 0.922 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 138' ' ' VAL . 10.8 mptt -127.15 119.27 26.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.036 0.446 . . . . 0.0 111.834 -178.047 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.464 HG22 HG23 ' A' ' 137' ' ' ILE . 5.2 t -159.09 173.8 15.88 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.144 174.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 26.1 p -97.68 151.97 37.89 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-O 120.634 0.254 . . . . 0.0 110.692 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.64 -29.13 69.13 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.024 2.483 . . . . 0.0 111.65 176.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.34 -45.5 88.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.69 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.495 ' O ' HG13 ' A' ' 11' ' ' ILE . 46.3 mm -64.47 -43.99 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.285 177.118 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.544 HD11 HG21 ' A' ' 137' ' ' ILE . 97.4 mt -56.89 -41.94 78.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.893 179.437 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.547 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 36.4 t70 -63.73 -45.23 90.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.452 177.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -56.84 -36.47 70.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.091 176.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 7' ' ' ILE . 75.6 mt -65.25 -50.0 75.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.489 0.185 . . . . 0.0 111.323 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.547 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -65.65 -36.97 85.22 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.797 -0.183 . . . . 0.0 111.307 -178.438 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.4 t -69.28 -44.28 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.971 0.415 . . . . 0.0 110.397 176.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.861 ' HE1' ' HB2' ' A' ' 44' ' ' ARG . 14.8 t-80 -62.73 -31.87 72.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.302 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.26 -38.03 91.38 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.285 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.91 -34.42 66.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.957 0.408 . . . . 0.0 110.096 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -63.68 -38.64 91.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.083 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.85 95.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.343 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -67.18 159.15 78.7 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.047 -178.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.86 -3.28 16.14 Favored 'Cis proline' 0 C--N 1.347 0.458 0 C-N-CA 124.104 -1.207 . . . . 0.0 113.733 4.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -75.26 -174.26 2.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.121 0.486 . . . . 0.0 110.731 177.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -87.4 144.2 26.87 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.671 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.486 ' HA2' ' HD2' ' A' ' 44' ' ' ARG . . . -102.79 -99.07 2.47 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.303 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.8 t 63.8 -176.81 0.16 Allowed 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 121.199 0.524 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 145.1 -176.03 24.36 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.061 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -109.68 150.66 27.94 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.851 0.358 . . . . 0.0 110.54 -176.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.0 mt -97.96 119.18 36.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.506 177.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.511 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 85.9 mt -103.77 132.68 49.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.945 0.402 . . . . 0.0 110.379 -177.123 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.516 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . 176.94 -147.68 8.51 Favored Glycine 0 N--CA 1.441 -0.991 0 C-N-CA 120.913 -0.66 . . . . 0.0 111.723 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.1 p -136.39 159.2 42.49 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.693 0.282 . . . . 0.0 111.142 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.3 t -89.31 124.65 42.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 33' ' ' ASP . 2.1 m -135.15 172.66 12.69 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.867 -170.537 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.427 ' H ' HG22 ' A' ' 32' ' ' THR . 31.9 t70 74.27 -86.81 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.579 0.752 . . . . 0.0 111.966 171.418 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -163.77 54.43 0.16 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 122.246 1.022 . . . . 0.0 108.892 178.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.73 33.11 7.23 Favored Glycine 0 C--N 1.311 -0.847 0 CA-C-N 114.055 -1.43 . . . . 0.0 111.42 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.547 ' OD1' ' HA ' ' A' ' 1' ' ' MET . 7.2 t0 -111.9 163.85 13.76 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 176.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -114.95 121.5 43.36 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 121.408 0.623 . . . . 0.0 110.952 -172.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.516 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 57.2 ttt180 -101.87 106.82 17.83 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.132 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 62.0 t -90.56 119.11 37.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.558 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -113.59 -21.84 10.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.838 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.511 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -139.5 154.88 47.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.907 0.384 . . . . 0.0 111.513 -176.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 74.9 mt -122.81 147.43 46.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.387 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -146.59 122.42 10.61 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.861 ' HB2' ' HE1' ' A' ' 14' ' ' HIS . 9.5 ttp180 -84.92 129.71 34.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.177 0.513 . . . . 0.0 110.508 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.22 100.91 10.88 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.89 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.51 95.9 4.82 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.182 0.515 . . . . 0.0 110.454 -178.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.83 73.46 7.51 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-O 121.819 0.819 . . . . 0.0 110.357 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -104.51 -59.77 1.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.592 -1.185 . . . . 0.0 109.97 176.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -113.09 -23.2 10.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.934 -173.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.9 t -80.77 36.47 0.39 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.047 0.451 . . . . 0.0 110.906 -176.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.833 ' HG2' ' HB3' ' A' ' 57' ' ' TYR . 7.4 tm-20 -82.35 -69.58 0.61 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.996 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -78.57 23.03 0.33 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.852 -176.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.428 ' HD3' ' OD2' ' A' ' 62' ' ' ASP . 41.3 ttt180 -66.15 -62.97 1.19 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.065 0.46 . . . . 0.0 110.579 -178.131 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.0 m -101.69 -33.02 10.03 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.147 -175.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -161.66 -174.81 4.39 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -175.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -80.96 133.74 35.57 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 171.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.833 ' HB3' ' HG2' ' A' ' 51' ' ' GLU . 21.6 p90 -53.75 -43.15 68.92 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -175.289 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 57' ' ' TYR . 10.8 pt-20 57.69 -47.15 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 125.894 1.678 . . . . 0.0 113.245 -176.429 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.9 tt -163.68 -43.56 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.9 p -86.29 -169.59 2.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.784 178.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -143.28 172.58 12.55 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 176.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.428 ' OD2' ' HD3' ' A' ' 53' ' ' ARG . 28.3 t70 -88.34 0.45 56.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.892 0.377 . . . . 0.0 111.312 -174.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -57.86 -35.99 71.72 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.141 -178.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -62.92 -45.63 91.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.438 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.2 mtp-105 -64.93 -43.37 92.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.775 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.53 -35.71 81.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.888 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.16 -40.2 78.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.079 176.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.469 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 25.2 t70 -66.78 -44.03 82.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.741 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.484 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -60.63 -51.25 70.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.795 179.572 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.29 -32.8 73.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.899 0.381 . . . . 0.0 110.546 177.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.511 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -63.52 -48.83 75.93 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.248 175.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 68' ' ' ASP . 65.1 mt-30 -57.99 -41.39 82.92 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.888 0.375 . . . . 0.0 110.47 177.375 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 53.2 mt-10 -57.31 -39.65 76.24 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.116 177.508 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -85.72 -18.5 32.9 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.834 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.07 28.58 25.26 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.409 -176.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 72.2 mt -124.6 178.12 5.6 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 122.737 0.415 . . . . 0.0 110.003 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -139.62 -179.33 5.85 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 174.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.9 t -85.15 109.25 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.944 0.402 . . . . 0.0 110.304 -179.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.3 m -102.85 -11.01 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.634 -177.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -172.54 -176.53 41.3 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.041 -1.075 . . . . 0.0 113.035 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.484 ' O ' ' HA ' ' A' ' 107' ' ' TYR . 4.8 t -137.96 157.62 32.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -137.27 140.78 41.83 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.995 176.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -130.17 147.42 51.9 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -176.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.4 p -104.69 128.33 52.72 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.59 0.233 . . . . 0.0 110.464 -176.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 23.8 m170 -108.84 143.75 28.2 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.168 179.082 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 3.5 Cg_exo -81.62 107.66 1.82 Allowed 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 123.052 2.501 . . . . 0.0 111.257 174.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.4 t0 64.65 -158.53 0.3 Allowed 'General case' 0 C--O 1.235 0.318 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 73.5 m80 68.65 164.14 0.13 Allowed Pre-proline 0 C--N 1.323 -0.569 0 C-N-CA 123.397 0.679 . . . . 0.0 112.232 175.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -68.54 5.78 1.16 Allowed 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 123.768 2.978 . . . . 0.0 114.414 -174.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.628 ' HB2' ' HB2' ' A' ' 111' ' ' SER . . . 72.75 12.72 5.27 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 175.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 91' ' ' ARG . 43.3 mtt180 -80.39 154.5 74.24 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 175.187 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -57.2 143.77 92.46 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 123.085 2.523 . . . . 0.0 113.464 -177.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.3 m -98.86 173.64 6.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.341 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.601 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -66.05 -50.36 64.41 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -172.384 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.0 m -79.45 -32.92 42.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.318 0.58 . . . . 0.0 109.504 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -56.94 -40.96 77.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.182 177.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.412 ' HA ' ' HE2' ' A' ' 132' ' ' PHE . 6.7 tt -70.36 -43.53 69.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.473 175.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.601 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 69.3 mt-10 -61.47 -26.27 67.79 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -176.196 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -77.9 -9.17 58.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.678 0.275 . . . . 0.0 111.686 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -91.99 113.79 26.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.844 0.354 . . . . 0.0 110.442 179.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.471 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 1.7 m -128.04 13.4 6.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.023 0.439 . . . . 0.0 111.514 -176.055 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -115.39 87.19 16.12 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 120.668 0.271 . . . . 0.0 111.524 -178.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.471 ' HD3' ' O ' ' A' ' 101' ' ' THR . 16.4 Cg_exo -68.13 115.31 3.76 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.897 2.398 . . . . 0.0 112.069 179.094 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 128.87 -24.38 4.84 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.478 -178.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -79.09 148.86 32.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.589 -0.305 . . . . 0.0 110.209 176.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 62.8 m -92.6 122.99 35.56 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 175.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.484 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 58.7 m-85 -103.34 110.66 22.74 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.715 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 84.7 t -95.97 119.87 44.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.213 0.53 . . . . 0.0 110.017 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.1 mt -109.94 118.18 56.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.668 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.669 HG23 ' HG ' ' A' ' 120' ' ' LEU . 7.5 p -105.97 133.22 50.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.491 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.628 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 33.0 t -88.3 109.89 20.32 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.848 178.505 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.484 HG12 ' H ' ' A' ' 115' ' ' GLY . 27.0 t -114.82 115.14 48.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 176.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -87.19 79.07 8.7 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.408 -175.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.4 t70 60.15 25.7 15.05 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.039 176.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.484 ' H ' HG12 ' A' ' 112' ' ' VAL . . . 131.66 -23.77 4.19 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.626 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -98.11 109.96 54.02 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 122.837 -0.214 . . . . 0.0 111.356 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -65.72 118.48 5.52 Favored 'Trans proline' 0 N--CA 1.463 -0.265 0 C-N-CA 122.452 2.101 . . . . 0.0 111.06 176.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -100.29 -70.39 0.74 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.116 -175.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -134.94 150.49 50.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.961 0.41 . . . . 0.0 111.123 -177.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.669 ' HG ' HG23 ' A' ' 110' ' ' VAL . 5.9 mp -117.32 136.73 52.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.026 179.02 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 35.1 p -132.36 145.55 51.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.555 0.217 . . . . 0.0 110.49 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -119.24 134.64 55.1 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.0 0.429 . . . . 0.0 110.168 177.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 70.5 m95 -129.3 151.47 49.91 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.982 -174.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -115.85 133.55 55.91 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.354 174.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 54.1 tp -80.13 133.72 36.1 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.4 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . . . -54.98 140.59 61.23 Favored Pre-proline 0 C--N 1.33 -0.255 0 O-C-N 123.562 0.539 . . . . 0.0 110.978 -179.498 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 126' ' ' ALA . 66.4 Cg_exo -51.6 -28.25 28.38 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.436 2.757 . . . . 0.0 113.197 -176.265 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -122.3 51.65 1.36 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.846 0.355 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 44.14 38.47 2.35 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.315 1.046 . . . . 0.0 113.403 171.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 6.1 m -78.88 -60.27 2.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.973 0.416 . . . . 0.0 110.831 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -167.46 -165.32 0.66 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.492 -175.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.412 ' HE2' ' HA ' ' A' ' 97' ' ' LEU . 34.0 m-85 -104.44 144.84 31.12 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.126 0.489 . . . . 0.0 109.976 175.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -123.73 146.71 48.08 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.319 176.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' A' ' 134' ' ' ARG . 9.0 tpt180 -67.87 135.05 51.91 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.756 -172.151 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -117.54 175.09 5.8 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.939 -1.028 . . . . 0.0 108.879 174.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -146.2 146.25 30.74 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.662 -178.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.544 HG21 HD11 ' A' ' 8' ' ' LEU . 3.7 mp -91.55 114.94 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.249 -176.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 0.6 OUTLIER -116.83 155.33 18.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 177.133 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.404 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 44.0 mtp180 -72.51 137.77 80.74 Favored Pre-proline 0 C--N 1.318 -0.783 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 177.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 139' ' ' ARG . 15.1 Cg_exo -67.99 116.32 4.25 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.609 2.206 . . . . 0.0 111.284 177.313 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -78.4 113.77 37.03 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.325 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -82.78 30.05 0.54 Allowed 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.664 2.242 . . . . 0.0 112.149 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -128.03 2.21 5.9 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.63 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.421 ' HA ' ' HD3' ' A' ' 145' ' ' PRO . . . -74.2 129.79 83.76 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.733 178.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 144' ' ' ALA . 12.1 Cg_exo -68.96 134.32 29.36 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.719 2.279 . . . . 0.0 111.698 177.092 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 4.1 pp -77.2 148.55 35.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.103 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.03 166.37 11.97 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-O 121.448 0.642 . . . . 0.0 111.785 -176.192 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -75.82 77.74 2.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.639 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -68.76 107.01 2.86 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.494 0.664 . . . . 0.0 110.985 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -99.38 36.59 1.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.323 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 42.5 m80 62.03 80.87 0.21 Allowed 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.36 -170.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 66.54 -76.22 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.403 -172.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.288 -0.863 . . . . 0.0 108.863 178.016 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 ttm . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.521 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -100.95 122.5 43.6 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 173.278 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.472 HG21 HD21 ' A' ' 8' ' ' LEU . 15.1 t -156.98 174.64 15.22 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.978 -171.546 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 46.5 p -114.19 148.65 40.53 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.498 -176.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -55.35 -34.58 89.27 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 123.0 2.467 . . . . 0.0 112.276 178.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.504 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 34.1 t70 -59.32 -47.4 85.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.86 178.291 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.555 ' O ' HG13 ' A' ' 11' ' ' ILE . 46.3 mm -68.35 -42.72 84.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.374 178.277 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.472 HD21 HG21 ' A' ' 3' ' ' THR . 86.5 mt -54.75 -45.6 74.21 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.574 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -67.29 -39.61 86.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.124 0.487 . . . . 0.0 110.61 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.504 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 53.4 mt-30 -63.33 -33.55 75.76 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.145 178.436 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 7' ' ' ILE . 74.7 mt -61.88 -40.93 88.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 175.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 67.6 mtt180 -58.56 -49.43 77.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.243 0.544 . . . . 0.0 110.174 176.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.33 -46.9 91.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.356 -178.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -65.19 -27.74 68.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.813 -177.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.95 -47.36 91.67 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.69 175.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.79 -30.56 62.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.068 0.461 . . . . 0.0 110.728 176.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -59.24 -36.27 75.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.402 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.96 -15.4 57.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.379 -178.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.445 ' OH ' ' HB3' ' A' ' 86' ' ' PRO . 2.0 m-85 -67.07 164.49 35.14 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.105 -178.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -77.44 -2.99 28.99 Favored 'Cis proline' 0 C--N 1.351 0.677 0 C-N-CA 124.589 -1.005 . . . . 0.0 113.775 2.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -81.24 169.21 17.61 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.801 -178.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -74.68 122.85 23.85 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.101 0.477 . . . . 0.0 110.305 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.83 89.36 0.8 Allowed Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.603 -177.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.1 p -95.82 151.98 18.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.883 0.373 . . . . 0.0 110.005 174.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -171.92 -177.54 41.59 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.184 -1.007 . . . . 0.0 112.734 -178.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -116.68 149.1 40.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.626 0.251 . . . . 0.0 110.76 -175.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.5 mt -105.27 125.33 50.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.155 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.547 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 61.1 mt -110.02 144.64 38.28 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -178.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.497 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . -173.91 -159.8 21.03 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.087 -1.054 . . . . 0.0 112.684 179.34 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.1 p -121.24 159.93 24.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.865 0.364 . . . . 0.0 111.0 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.9 t -96.01 109.83 23.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.984 0.421 . . . . 0.0 110.145 176.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.408 ' C ' ' H ' ' A' ' 34' ' ' ASP . 17.8 p -97.6 149.96 21.66 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.853 177.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.5 t70 70.35 -3.45 1.85 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.335 0.588 . . . . 0.0 110.325 178.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 32' ' ' THR . 24.0 t70 68.1 20.15 9.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.92 -1.037 . . . . 0.0 109.833 -176.141 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.0 10.27 0.12 Allowed Glycine 0 CA--C 1.523 0.576 0 C-N-CA 120.654 -0.784 . . . . 0.0 113.791 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -123.9 159.82 28.84 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 117.466 0.633 . . . . 0.0 110.97 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.455 ' HB2' ' HB ' ' A' ' 79' ' ' VAL . 7.7 p30 -105.49 123.12 47.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.401 177.626 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.521 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 57.3 ttt180 -116.88 109.28 16.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.26 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.8 t -76.7 129.78 36.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.716 -0.22 . . . . 0.0 110.813 -178.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -130.77 -27.67 2.08 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -177.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.547 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -137.67 148.03 45.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.933 0.397 . . . . 0.0 111.406 -176.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.8 mt -113.67 145.41 41.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.302 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -137.88 121.13 16.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.735 0.303 . . . . 0.0 110.747 176.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.65 ' HG3' HG22 ' A' ' 46' ' ' THR . 14.2 ptp180 -84.88 138.79 32.32 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 174.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.486 ' O ' ' HB ' ' A' ' 46' ' ' THR . . . -71.45 89.62 0.94 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 111.585 -176.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.65 HG22 ' HG3' ' A' ' 44' ' ' ARG . 9.9 t 175.01 156.08 0.16 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.722 176.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -97.43 142.85 28.78 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.091 0.472 . . . . 0.0 110.188 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.443 ' O ' ' HD2' ' A' ' 48' ' ' ARG . 3.7 tmm_? -97.57 88.28 4.32 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.988 -175.068 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 59.91 -169.52 0.15 Allowed 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.767 174.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.6 t 63.97 28.07 14.38 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.3 174.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.536 ' HA ' ' OG1' ' A' ' 60' ' ' THR . 1.7 mp0 -62.49 -38.58 90.43 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.369 0.604 . . . . 0.0 110.492 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -82.36 70.73 9.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.092 -175.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -96.92 -41.16 8.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.056 0.455 . . . . 0.0 110.087 176.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.527 ' CB ' ' HB3' ' A' ' 58' ' ' GLU . 16.9 m -133.97 149.04 51.22 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.758 -177.523 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.572 ' O ' ' HG2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -81.71 85.99 6.5 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.138 -174.49 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.572 ' HG2' ' O ' ' A' ' 55' ' ' ARG . 10.4 ptp180 70.28 -25.73 0.16 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.639 1.176 . . . . 0.0 112.731 174.536 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -67.75 -29.9 69.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.241 0.543 . . . . 0.0 110.018 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.527 ' HB3' ' CB ' ' A' ' 54' ' ' THR . 34.7 tt0 -148.05 136.96 21.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.986 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.437 HD23 ' H ' ' A' ' 59' ' ' LEU . 2.5 pt? -137.32 140.68 41.66 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.238 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.536 ' OG1' ' HA ' ' A' ' 51' ' ' GLU . 76.9 p -87.72 104.04 16.17 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.841 0.353 . . . . 0.0 111.007 -178.352 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.32 168.89 10.19 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 176.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -104.47 143.93 32.36 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.248 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -160.43 162.05 33.13 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 -174.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -53.25 -47.19 69.28 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 121.246 -0.182 . . . . 0.0 110.783 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -61.1 -40.7 94.71 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 123.075 0.234 . . . . 0.0 110.834 -175.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.83 -47.51 74.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.21 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.35 -37.62 88.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.238 0.542 . . . . 0.0 110.368 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.533 ' O ' ' HG2' ' A' ' 72' ' ' GLN . 17.7 t70 -65.65 -40.79 92.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.041 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.03 84.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.097 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.25 -32.93 74.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.056 0.455 . . . . 0.0 110.194 176.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.477 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -61.91 -48.89 78.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.84 173.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 29.3 mm-40 -57.35 -41.57 80.33 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.404 178.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -54.7 -42.39 71.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.191 177.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -88.48 6.94 35.36 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.619 -177.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.1 23.53 77.83 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.211 179.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 43.3 mt -117.77 172.09 7.61 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -178.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -139.09 168.58 19.52 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 172.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.3 t -78.2 108.75 12.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.883 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.455 ' HB ' ' HB2' ' A' ' 37' ' ' ASN . 27.1 m -91.1 -12.29 9.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.288 -176.228 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 173.94 -176.31 46.43 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.068 -1.063 . . . . 0.0 113.326 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.1 t -134.34 158.11 41.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 -179.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -132.96 151.36 52.07 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.244 0.545 . . . . 0.0 111.39 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -124.41 153.67 41.56 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.171 -178.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.1 m -103.51 130.71 50.95 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 173.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.626 ' HB3' ' O ' ' A' ' 88' ' ' HIS . 2.1 m170 -117.39 85.86 20.94 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -173.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.445 ' HB3' ' OH ' ' A' ' 19' ' ' TYR . 94.2 Cg_endo -93.43 -5.81 2.76 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 122.737 2.291 . . . . 0.0 111.579 169.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -90.66 -42.03 10.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.687 -1.142 . . . . 0.0 110.581 -176.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.626 ' O ' ' HB3' ' A' ' 85' ' ' HIS . 20.3 m80 -147.26 165.31 19.36 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.74 -166.36 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.998 2.466 . . . . 0.0 114.005 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.73 11.76 2.43 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -168.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 91' ' ' ARG . 39.0 mtm180 -101.63 147.72 34.23 Favored Pre-proline 0 C--N 1.32 -0.711 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.154 174.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -62.2 131.7 35.62 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 123.032 2.488 . . . . 0.0 112.687 -177.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.9 m -96.02 -175.05 3.28 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.433 177.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.47 -40.09 85.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.63 0.252 . . . . 0.0 110.907 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.7 p -64.98 -40.45 94.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.492 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -63.29 -39.14 93.76 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.092 0.473 . . . . 0.0 109.962 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -45.87 83.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.536 176.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -70.88 -26.49 63.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.028 -0.987 . . . . 0.0 112.386 -176.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -95.65 20.74 9.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.216 0.532 . . . . 0.0 110.789 176.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -106.45 108.79 20.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.675 177.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.629 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 5.8 t -135.54 3.08 3.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.561 0.696 . . . . 0.0 110.723 -178.026 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.619 ' HB3' ' CD1' ' A' ' 105' ' ' PHE . 93.7 m-85 -107.57 88.64 4.36 Favored Pre-proline 0 C--N 1.315 -0.918 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.579 -178.587 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.629 ' HD3' ' O ' ' A' ' 101' ' ' THR . 5.8 Cg_exo -76.98 64.37 7.72 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.011 2.474 . . . . 0.0 112.123 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 171.46 27.62 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.89 178.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.619 ' CD1' ' HB3' ' A' ' 102' ' ' PHE . 35.9 m-85 -132.38 154.06 50.16 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -177.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.6 m -92.69 116.97 29.49 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.858 0.361 . . . . 0.0 110.358 177.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -93.13 108.27 19.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.792 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 89.1 t -96.17 125.73 48.95 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 121.303 0.573 . . . . 0.0 110.506 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 76.7 mt -121.08 117.91 54.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.625 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.16 128.58 72.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 121.59 0.709 . . . . 0.0 110.915 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.4 t -82.22 106.44 14.12 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.597 175.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 57.4 t -114.89 117.04 54.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.038 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -104.16 90.77 3.68 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.397 0.618 . . . . 0.0 110.88 -177.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 19.5 t70 56.53 45.65 21.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.312 -1.313 . . . . 0.0 111.215 176.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 101.74 -13.65 57.8 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.422 177.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -92.83 115.59 65.13 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 120.434 0.159 . . . . 0.0 111.254 -179.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_exo -71.41 104.21 1.53 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.879 2.386 . . . . 0.0 110.952 175.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -93.66 -68.92 0.77 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.435 -173.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.27 122.88 25.87 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -177.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.0 tt -108.17 123.08 48.2 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.3 m -140.13 155.9 46.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.938 0.399 . . . . 0.0 110.089 -179.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -124.96 146.91 49.15 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 76.7 m95 -132.79 139.4 47.51 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.794 -175.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.59 128.72 52.67 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.687 176.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 63.4 tp -83.97 134.65 34.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.896 0.379 . . . . 0.0 110.356 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . . . -68.46 148.09 98.14 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.423 176.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 126' ' ' ALA . 32.1 Cg_exo -59.67 -26.38 81.95 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.912 2.408 . . . . 0.0 112.718 -178.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -86.24 -11.3 52.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.33 178.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 65.58 21.39 11.72 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.585 -173.244 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 7.7 p -68.11 -37.39 81.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.433 -178.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -162.67 175.44 11.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.145 0.498 . . . . 0.0 110.668 -178.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -106.55 153.96 21.57 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.385 174.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -124.1 138.53 54.42 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 176.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 134' ' ' ARG . 4.3 ttp180 -68.66 126.42 29.65 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.334 0.587 . . . . 0.0 110.462 178.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.08 166.07 14.69 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.869 -178.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -118.38 139.91 50.65 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.944 -177.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 49.5 mm -96.63 113.46 31.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.964 0.411 . . . . 0.0 110.26 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.483 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 3.4 m -133.74 154.16 37.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.67 -179.324 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -83.09 144.33 47.13 Favored Pre-proline 0 N--CA 1.448 -0.555 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -69.38 121.77 8.55 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 121.671 1.581 . . . . 0.0 110.128 169.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.472 ' C ' ' H ' ' A' ' 143' ' ' GLU . 6.2 t70 -48.45 136.37 12.47 Favored Pre-proline 0 N--CA 1.467 0.399 0 O-C-N 123.534 0.521 . . . . 0.0 110.738 -175.32 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 141' ' ' ASP . 27.9 Cg_exo -64.58 27.69 0.08 OUTLIER 'Trans proline' 0 N--CA 1.478 0.576 0 C-N-CA 123.842 3.028 . . . . 0.0 114.634 -176.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.472 ' H ' ' C ' ' A' ' 141' ' ' ASP . 39.6 mt-10 -100.64 -51.83 3.49 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 166.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . 39.83 66.07 3.34 Favored Pre-proline 0 C--O 1.233 0.206 0 CA-C-N 114.538 -1.21 . . . . 0.0 111.088 -177.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -84.09 156.86 13.17 Favored 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 122.786 2.324 . . . . 0.0 113.085 -172.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 6.9 mp -88.9 -177.93 5.61 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.545 176.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.492 ' CD ' ' H ' ' A' ' 147' ' ' GLU . 7.3 mp0 -64.27 -24.1 67.54 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 121.272 0.558 . . . . 0.0 110.493 177.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -145.04 141.09 28.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.757 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -89.55 98.13 11.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.988 0.423 . . . . 0.0 109.976 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -109.26 118.29 36.32 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.318 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.86 151.61 38.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.25 177.607 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -72.63 -36.34 68.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.783 -175.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.486 -0.769 . . . . 0.0 109.771 175.82 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 138' ' ' VAL . 1.1 mptm? -113.99 119.04 35.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.056 0.455 . . . . 0.0 110.546 -179.36 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.5 t -159.29 174.1 15.3 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.293 -177.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.6 p -101.79 159.17 30.21 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.885 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.484 ' HA ' HD12 ' A' ' 8' ' ' LEU . 9.6 Cg_endo -53.87 -29.36 52.86 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.269 2.646 . . . . 0.0 111.77 176.304 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.48 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 1.8 m-20 -55.16 -49.63 71.36 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.047 176.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.46 ' O ' HG12 ' A' ' 11' ' ' ILE . 45.9 mm -66.95 -41.57 87.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.337 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 5' ' ' PRO . 89.7 mt -55.77 -46.4 77.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.924 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.441 ' O ' HG23 ' A' ' 13' ' ' VAL . 33.9 t70 -69.25 -41.31 77.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.996 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.48 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 54.4 mt-30 -58.52 -34.76 71.33 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.253 178.131 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.639 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 41.3 mm -62.42 -43.9 98.7 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 121.16 0.505 . . . . 0.0 109.876 174.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.9 mtp85 -60.91 -45.15 95.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.983 177.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 9' ' ' ASP . 86.1 t -61.46 -50.26 81.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.713 -176.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.639 ' CD2' ' HA ' ' A' ' 11' ' ' ILE . 12.2 p80 -67.1 -27.86 67.69 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.792 -178.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.05 -49.16 68.95 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.782 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.414 ' HB2' ' HG3' ' A' ' 117' ' ' PRO . . . -69.38 -31.02 69.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.989 0.423 . . . . 0.0 110.678 178.216 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -66.26 -38.89 88.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.303 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.19 -27.77 22.81 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.958 -177.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.718 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 1.9 t80 -55.24 148.35 31.6 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.862 -177.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.718 ' HA ' ' CG ' ' A' ' 19' ' ' TYR . 89.5 Cg_endo -80.06 -3.76 40.8 Favored 'Cis proline' 0 C--N 1.351 0.69 0 C-N-CA 124.171 -1.179 . . . . 0.0 113.816 4.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -71.26 147.93 47.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.457 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -77.52 77.54 4.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.187 0.518 . . . . 0.0 111.398 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.61 100.33 0.74 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.917 176.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 59.3 m -110.81 176.02 5.19 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.946 0.403 . . . . 0.0 110.989 -175.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 174.7 -158.03 25.78 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.036 -178.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -120.3 152.09 38.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.844 0.354 . . . . 0.0 111.096 -175.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.1 mt -100.07 123.33 44.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.688 176.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.475 HD22 ' HB2' ' A' ' 71' ' ' ALA . 70.3 mt -105.08 131.97 51.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.243 0.544 . . . . 0.0 110.417 -177.502 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.15 -157.3 16.17 Favored Glycine 0 N--CA 1.441 -0.98 0 N-CA-C 111.456 -0.657 . . . . 0.0 111.456 -178.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.452 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 1.3 p -136.51 148.73 47.78 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.751 0.31 . . . . 0.0 111.506 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 36' ' ' ASP . 62.2 t -98.19 131.88 44.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 173.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.1 p -73.38 176.61 5.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.833 0.349 . . . . 0.0 111.011 -177.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -67.28 -28.25 67.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.186 177.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -87.38 -12.3 46.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.686 -177.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.86 16.44 13.92 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.518 -0.849 . . . . 0.0 113.105 175.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.504 ' O ' ' HA ' ' A' ' 31' ' ' VAL . 11.6 m-20 -76.95 139.8 40.26 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 117.048 0.424 . . . . 0.0 110.57 176.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -102.4 108.69 20.11 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.499 175.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 30' ' ' THR . 7.8 ptm180 -110.31 136.5 49.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.269 0.557 . . . . 0.0 109.864 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.5 t -107.82 121.21 60.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.957 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.302 -178.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.91 -30.41 7.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.611 -177.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.1 154.17 51.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.339 . . . . 0.0 111.354 -176.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.3 mt -116.33 148.39 40.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.7 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -133.67 122.13 22.98 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.474 176.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 -90.22 140.25 29.86 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.751 176.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.06 98.15 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.054 0.454 . . . . 0.0 110.706 178.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.8 m -144.61 146.11 32.13 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.74 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.795 ' HA ' ' HB1' ' A' ' 61' ' ' ALA . 1.3 p30 -76.61 106.56 8.33 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.476 0.655 . . . . 0.0 111.209 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 68.1 ttt180 -74.07 94.37 2.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.376 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 -89.86 99.61 12.59 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.753 0.787 . . . . 0.0 109.798 174.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.5 t -100.81 -160.11 0.78 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.863 -176.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.412 ' CD ' ' H ' ' A' ' 51' ' ' GLU . 0.3 OUTLIER -76.06 146.13 39.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.06 0.457 . . . . 0.0 110.842 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.425 ' O ' ' HB2' ' A' ' 53' ' ' ARG . 20.7 mm-40 -92.16 178.09 5.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.111 178.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 52' ' ' GLN . 96.0 mtt180 68.64 8.03 6.46 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 122.835 0.454 . . . . 0.0 111.582 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.7 t -87.17 6.22 34.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.129 -176.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.447 HH11 ' HD2' ' A' ' 55' ' ' ARG . 23.8 mtp85 63.66 -170.48 0.18 Allowed 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -176.398 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.465 ' HD3' ' HA ' ' A' ' 56' ' ' ARG . 6.9 mmt180 59.1 59.24 2.82 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.936 0.398 . . . . 0.0 111.962 176.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.514 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 96.0 m-85 -84.2 -164.85 1.01 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.224 178.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.514 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 5.2 mm-40 71.31 14.82 6.45 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.785 0.802 . . . . 0.0 109.655 -170.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.45 ' O ' HD12 ' A' ' 59' ' ' LEU . 2.3 pp -66.11 143.22 57.44 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.304 179.281 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.7 m -125.05 106.04 9.63 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.12 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.795 ' HB1' ' HA ' ' A' ' 47' ' ' ASN . . . -79.58 167.57 20.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.925 -177.088 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 71.35 -44.73 0.6 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.648 0.779 . . . . 0.0 111.478 -177.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.402 ' CG ' ' H ' ' A' ' 64' ' ' TYR . 5.5 t70 -85.74 -167.8 1.99 Allowed 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.417 -173.338 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.402 ' H ' ' CG ' ' A' ' 63' ' ' ASP . 71.5 t80 -59.71 -43.29 94.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.618 -172.514 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -53.98 -37.14 63.66 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -173.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.39 -41.43 63.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.88 0.372 . . . . 0.0 111.29 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.52 -34.69 76.32 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.179 177.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -58.38 -46.51 86.2 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.872 177.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.87 -49.6 56.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.217 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.39 -32.96 72.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.186 -178.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.475 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -62.72 -51.91 65.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.438 177.601 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -64.71 -36.28 83.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.733 -178.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.3 -36.52 78.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.156 0.503 . . . . 0.0 111.251 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -86.42 -3.29 58.98 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.078 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.07 26.52 52.64 Favored Glycine 0 N--CA 1.454 -0.164 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.426 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 74.9 mt -127.65 -178.21 4.39 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -143.09 176.85 8.79 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 173.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.7 t -82.06 101.92 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.966 0.413 . . . . 0.0 110.148 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.6 m -94.95 -17.24 7.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -178.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.535 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -165.17 172.12 40.71 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 119.996 -1.097 . . . . 0.0 113.158 -178.488 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' A' ' 107' ' ' TYR . 9.7 t -135.16 157.77 40.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 177.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -137.43 145.5 43.24 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.249 -0.58 . . . . 0.0 111.564 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 66.1 m170 -122.62 147.18 46.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.586 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -107.37 141.83 38.12 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 176.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.406 ' O ' ' HE1' ' A' ' 19' ' ' TYR . 20.1 m170 -106.98 140.42 21.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.414 178.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -98.49 -3.65 0.97 Allowed 'Trans proline' 0 N--CA 1.451 -0.986 0 C-N-CA 123.285 2.657 . . . . 0.0 112.086 173.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -151.82 136.34 16.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.332 -173.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 25.1 m80 66.07 160.5 0.13 Allowed Pre-proline 0 N--CA 1.471 0.605 0 O-C-N 123.886 0.742 . . . . 0.0 112.051 -178.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.32 -172.11 0.22 Allowed 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.134 2.556 . . . . 0.0 113.492 -178.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.458 ' HB2' ' HB2' ' A' ' 111' ' ' SER . . . -83.46 80.99 8.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.489 -177.431 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.508 ' HD3' ' CZ2' ' A' ' 123' ' ' TRP . 22.0 mmt180 -144.27 149.37 44.6 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 174.307 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -62.09 125.51 16.6 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.376 2.05 . . . . 0.0 113.11 -176.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.8 t -97.59 178.68 5.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.351 177.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.478 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -66.53 -49.51 66.26 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -173.295 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.8 m -77.86 -32.77 52.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.356 0.598 . . . . 0.0 109.685 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -59.47 -38.89 81.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.035 177.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.405 HD13 ' C ' ' A' ' 97' ' ' LEU . 3.3 tm? -69.19 -45.3 70.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.198 174.612 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 52.8 mt-10 -64.57 -26.05 68.24 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -175.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -80.47 4.5 18.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.853 0.358 . . . . 0.0 111.134 177.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -132.85 81.58 1.95 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.95 0.405 . . . . 0.0 110.614 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.5 t -110.32 2.78 19.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 122.197 0.999 . . . . 0.0 109.901 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -108.85 89.16 6.11 Favored Pre-proline 0 C--N 1.315 -0.923 0 CA-C-N 114.347 -1.297 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.54 ' HA ' HD23 ' A' ' 125' ' ' LEU . 43.2 Cg_endo -67.39 143.8 65.11 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.757 2.305 . . . . 0.0 112.594 -177.194 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.26 -43.48 0.73 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.158 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.535 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 61.8 m-85 -88.95 162.15 16.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.006 0.431 . . . . 0.0 110.993 -178.168 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.6 m -92.25 122.99 35.25 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 172.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.458 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 98.8 m-85 -102.47 114.33 28.43 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.143 0.497 . . . . 0.0 110.882 -174.52 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.1 t -98.66 126.34 51.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.949 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.1 mt -110.04 126.8 67.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 175.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.9 p -103.62 133.73 46.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.241 0.543 . . . . 0.0 110.751 -177.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.458 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 20.4 t -91.28 107.2 19.04 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.853 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 40.9 t -124.66 122.24 63.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 176.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 43.7 mtm105 -117.78 95.33 4.88 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.145 0.498 . . . . 0.0 110.941 -177.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.407 ' HA ' ' HE2' ' A' ' 19' ' ' TYR . 29.0 t70 49.33 74.92 0.17 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 114.584 -1.189 . . . . 0.0 111.693 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.415 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 81.17 -20.93 6.3 Favored Glycine 0 CA--C 1.521 0.413 0 CA-C-N 115.75 -0.659 . . . . 0.0 113.445 177.017 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -96.29 111.24 56.02 Favored Pre-proline 0 C--N 1.328 -0.351 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -176.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 5.8 Cg_exo -78.7 111.63 3.01 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 123.054 2.503 . . . . 0.0 110.757 173.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -88.67 -78.88 0.32 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.814 -173.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -144.71 159.15 43.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.136 0.493 . . . . 0.0 111.587 -172.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.533 HD21 ' HB ' ' A' ' 11' ' ' ILE . 6.9 mp -103.57 133.13 49.11 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.934 178.54 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.401 ' OG1' ' HB1' ' A' ' 90' ' ' ALA . 63.5 p -121.35 129.31 53.0 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 173.155 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.92 136.7 48.79 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.541 ' HB3' ' HB3' ' A' ' 132' ' ' PHE . 54.3 m95 -129.32 142.13 50.91 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.255 -176.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.4 127.68 52.11 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 174.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.54 HD23 ' HA ' ' A' ' 103' ' ' PRO . 43.6 tp -80.18 119.02 22.39 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.97 149.47 81.27 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.307 -178.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.77 -25.64 52.69 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.607 2.204 . . . . 0.0 111.88 177.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -74.23 -11.16 60.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.993 179.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 45.61 29.83 0.7 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.467 1.107 . . . . 0.0 112.632 -178.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 6.4 t -101.07 -20.31 15.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.986 0.422 . . . . 0.0 110.466 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -158.15 172.01 19.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.017 0.437 . . . . 0.0 110.935 -176.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.541 ' HB3' ' HB3' ' A' ' 123' ' ' TRP . 57.0 m-85 -106.83 155.09 20.1 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.397 172.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 61.5 m-70 -124.49 139.14 54.16 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 172.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -65.66 130.7 44.2 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.044 -176.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.53 167.3 10.22 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.16 179.244 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -118.76 137.62 53.24 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.276 0.56 . . . . 0.0 111.321 -173.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 38.3 mm -90.4 114.76 28.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.029 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.475 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 1.4 t -126.36 155.88 36.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.841 -178.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.409 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 78.5 mtp180 -87.44 144.33 35.53 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.61 -178.146 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 139' ' ' ARG . 3.5 Cg_exo -74.04 103.61 1.7 Allowed 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 122.925 2.416 . . . . 0.0 111.674 175.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -75.01 133.65 75.46 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.123 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -72.65 29.5 0.28 Allowed 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.135 2.557 . . . . 0.0 114.63 -173.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -116.61 -6.45 11.63 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 121.332 0.587 . . . . 0.0 109.659 170.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -90.68 130.69 40.14 Favored Pre-proline 0 N--CA 1.447 -0.604 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 173.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -43.16 127.46 5.24 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.364 2.709 . . . . 0.0 112.756 -176.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.477 HD13 ' H ' ' A' ' 146' ' ' LEU . 0.0 OUTLIER -96.77 -179.42 4.57 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.542 -175.685 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.481 ' HG2' ' HB2' ' A' ' 149' ' ' HIS . 43.6 tt0 -66.99 139.23 57.67 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.263 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -77.98 72.52 4.51 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 176.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' HIS . . . . . 0.481 ' HB2' ' HG2' ' A' ' 147' ' ' GLU . 6.8 t60 -135.98 127.98 29.59 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.744 -173.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -135.55 100.5 4.51 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.935 0.398 . . . . 0.0 110.378 176.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -140.74 105.99 5.03 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 177.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 27.2 p80 -88.33 28.9 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.357 -177.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.603 -0.713 . . . . 0.0 109.265 -179.499 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.633 0.254 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.528 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 13.9 mptt -108.27 123.55 48.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.102 0.477 . . . . 0.0 111.09 176.485 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.4 t -159.39 173.89 15.56 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.526 177.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 51.8 p -102.78 152.18 38.42 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.646 0.26 . . . . 0.0 110.849 -178.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.432 ' HA ' ' HB2' ' A' ' 8' ' ' LEU . 12.5 Cg_endo -58.11 -27.68 80.84 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.915 2.41 . . . . 0.0 111.524 175.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -57.22 -44.81 84.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.739 175.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.461 ' O ' HG13 ' A' ' 11' ' ' ILE . 49.4 mm -75.27 -39.03 41.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.282 177.213 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.432 ' HB2' ' HA ' ' A' ' 5' ' ' PRO . 86.8 mt -56.98 -47.47 80.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.016 -178.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.413 ' O ' HG23 ' A' ' 13' ' ' VAL . 20.7 t70 -64.86 -38.27 90.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.871 0.367 . . . . 0.0 110.224 -178.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -59.32 -30.8 68.61 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.216 175.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 7' ' ' ILE . 63.8 mt -65.11 -42.69 95.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 175.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.453 ' HB3' ' CB ' ' A' ' 117' ' ' PRO . 29.3 mtm180 -63.19 -40.67 98.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.504 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 9' ' ' ASP . 89.3 t -56.71 -45.05 82.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.943 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 48.4 m80 -58.8 -38.27 78.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.344 -179.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.61 -48.26 63.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.426 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.57 -29.04 63.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 111.224 -178.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -73.71 -38.36 64.86 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.229 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.734 ' O ' ' HG2' ' A' ' 21' ' ' GLU . . . -84.28 -29.22 26.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.316 -0.857 . . . . 0.0 112.578 -174.467 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.466 ' CE2' ' HA ' ' A' ' 114' ' ' ASP . 41.3 t80 -46.41 135.79 7.32 Favored Pre-proline 0 N--CA 1.469 0.476 0 O-C-N 123.106 0.254 . . . . 0.0 111.056 -175.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.443 ' HA ' ' CG ' ' A' ' 19' ' ' TYR . 25.6 Cg_endo -91.27 -3.76 52.42 Favored 'Cis proline' 0 N--CA 1.46 -0.487 0 C-N-CA 124.19 -1.171 . . . . 0.0 114.445 4.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.734 ' HG2' ' O ' ' A' ' 18' ' ' ALA . 11.5 pt-20 -71.53 163.81 27.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 110.905 -175.142 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -75.01 98.79 3.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.066 0.46 . . . . 0.0 110.79 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.482 ' HA3' ' CB ' ' A' ' 18' ' ' ALA . . . -105.11 27.72 17.49 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.699 177.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.419 ' HB3' ' HA ' ' A' ' 83' ' ' HIS . 6.0 p -74.43 172.69 11.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.518 -0.341 . . . . 0.0 110.814 -179.068 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -171.68 -158.81 16.52 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.302 -0.952 . . . . 0.0 112.782 -179.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.476 ' HA ' ' HA ' ' A' ' 81' ' ' VAL . 89.8 m-85 -114.98 156.51 24.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.883 0.373 . . . . 0.0 110.529 -175.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.458 HD11 HG23 ' A' ' 108' ' ' VAL . 78.9 mt -94.07 119.68 33.27 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.595 179.007 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.43 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 76.9 mt -104.64 135.29 46.31 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.963 0.411 . . . . 0.0 109.909 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.457 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . -177.03 -150.04 8.11 Favored Glycine 0 N--CA 1.439 -1.104 0 C-N-CA 120.522 -0.847 . . . . 0.0 111.604 179.303 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.9 p -135.14 153.46 51.98 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.741 0.305 . . . . 0.0 110.526 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.2 t -90.81 118.93 37.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 175.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.0 p -79.3 173.44 12.58 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 -176.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -65.67 -16.28 63.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.469 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -66.98 -30.75 70.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.474 176.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.88 13.26 55.32 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 -173.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -100.68 169.13 9.24 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.522 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 3.0 m-20 -102.78 108.43 19.66 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -176.454 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.528 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 12.4 ttp180 -96.35 110.39 22.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.526 -177.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.9 t -85.31 124.24 39.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.292 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.21 -20.71 6.11 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.558 -178.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.43 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -139.87 154.64 47.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.897 0.38 . . . . 0.0 111.403 -178.398 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.4 mt -118.79 127.5 53.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.289 -179.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -123.51 121.6 36.07 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.164 -0.309 . . . . 0.0 110.164 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -73.35 139.26 45.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.274 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.61 62.36 1.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.398 0.618 . . . . 0.0 110.426 177.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.5 m -156.21 142.63 18.45 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.167 -0.924 . . . . 0.0 108.872 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.805 ' HB2' HG22 ' A' ' 60' ' ' THR . 9.2 p30 -63.32 145.99 54.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.145 0.497 . . . . 0.0 110.785 178.515 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -101.35 106.24 17.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.564 -177.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -69.52 104.66 2.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.313 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.1 t -163.38 161.66 24.55 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.205 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -87.09 138.02 31.85 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 167.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.62 ' HB2' ' HB3' ' A' ' 56' ' ' ARG . 10.4 pt20 -64.69 132.4 49.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.31 0.576 . . . . 0.0 111.406 -173.55 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -82.05 59.64 4.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.088 -178.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 95.8 m 63.92 106.14 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.061 -178.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.415 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 16.4 mmt180 65.01 81.61 0.2 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.548 177.288 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.62 ' HB3' ' HB2' ' A' ' 52' ' ' GLN . 43.4 ttt85 -151.97 139.89 20.04 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.332 176.509 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -69.97 -50.92 37.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 123.131 0.27 . . . . 0.0 110.853 -177.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 52.01 51.77 15.77 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.892 0.745 . . . . 0.0 110.367 -178.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 tt -71.48 100.87 2.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.658 -178.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.805 HG22 ' HB2' ' A' ' 47' ' ' ASN . 7.4 p -86.31 70.72 10.53 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.143 0.497 . . . . 0.0 111.751 -176.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.14 -18.86 7.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.819 175.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 68.32 14.51 9.2 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.819 0.7 . . . . 0.0 111.392 177.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -101.94 -168.44 1.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.389 -179.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -57.36 -40.35 77.93 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.874 178.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -56.15 -38.05 70.33 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.216 0.322 . . . . 0.0 111.776 -177.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.56 -39.46 81.02 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.775 0.322 . . . . 0.0 111.174 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.69 -39.59 76.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.997 0.427 . . . . 0.0 110.143 176.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -66.12 -44.45 84.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.783 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.5 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -60.88 -53.64 54.89 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.029 -178.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.94 -34.53 77.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.123 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.401 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -62.68 -48.88 77.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.092 176.489 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.935 ' HB3' ' HB3' ' A' ' 153' ' ' HIS . 28.0 mm-40 -67.57 -32.5 73.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.516 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 50.3 mt-10 -60.97 -39.4 89.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.11 0.481 . . . . 0.0 110.8 174.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -82.69 -29.98 29.53 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.66 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.3 26.16 6.71 Favored Glycine 0 C--O 1.229 -0.209 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.098 -178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 70.3 mt -126.51 177.65 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -134.52 175.02 9.91 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 173.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.415 HG13 ' HB3' ' A' ' 26' ' ' PHE . 20.8 t -85.04 103.84 12.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.423 -176.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.522 ' HB ' ' HB3' ' A' ' 37' ' ' ASN . 27.2 m -100.39 4.99 10.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.741 -175.624 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.401 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . 170.3 -172.11 43.84 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 119.795 -1.193 . . . . 0.0 112.906 178.347 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.476 ' HA ' ' HA ' ' A' ' 26' ' ' PHE . 2.9 t -138.85 150.88 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -136.93 136.69 38.82 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.419 ' HA ' ' HB3' ' A' ' 24' ' ' CYS . 28.8 p-80 -147.94 137.05 22.13 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.96 0.41 . . . . 0.0 111.274 -177.63 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 m -106.76 138.44 42.93 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.487 -177.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 1.4 p80 -166.9 142.08 3.46 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.109 170.536 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 5.2 Cg_endo -88.88 116.39 0.8 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 123.554 2.836 . . . . 0.0 110.162 171.136 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -165.5 -55.18 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.418 0.628 . . . . 0.0 110.696 -169.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -141.35 154.73 67.52 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.001 178.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -67.43 84.0 0.37 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.731 2.287 . . . . 0.0 113.56 -171.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 58.52 23.13 10.45 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.302 175.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.556 ' HD3' ' O ' ' A' ' 92' ' ' PRO . 0.2 OUTLIER -127.07 152.25 75.48 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 175.34 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.556 ' O ' ' HD3' ' A' ' 91' ' ' ARG . 14.2 Cg_endo -55.94 154.84 25.42 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 123.078 2.519 . . . . 0.0 112.903 -177.055 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.5 t -97.34 -175.84 3.34 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -60.49 -43.25 97.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.01 0.433 . . . . 0.0 109.846 176.369 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.8 m -61.3 -39.56 90.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.103 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.414 ' OD2' ' NE2' ' A' ' 83' ' ' HIS . 6.1 m-20 -59.76 -43.45 94.31 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.212 178.337 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.34 -45.01 81.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.773 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 44.0 mt-10 -60.44 -39.02 85.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.309 -0.86 . . . . 0.0 112.717 -176.041 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -109.79 20.67 17.8 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -172.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -108.3 103.41 12.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.987 0.423 . . . . 0.0 110.548 174.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.9 m -142.79 20.52 1.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.187 0.518 . . . . 0.0 110.603 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -130.59 86.45 52.94 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.273 0.558 . . . . 0.0 111.319 -178.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.41 177.64 3.76 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 123.151 2.567 . . . . 0.0 112.169 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 90.33 -22.13 28.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.73 -177.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.401 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 89.8 m-85 -100.8 143.07 31.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.262 -0.469 . . . . 0.0 109.838 175.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.1 m -91.34 123.99 35.2 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -93.78 109.03 20.72 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.339 -178.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.458 HG23 HD11 ' A' ' 27' ' ' LEU . 63.3 t -95.22 116.84 37.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-O 121.229 0.538 . . . . 0.0 110.117 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.8 mt -110.98 117.97 56.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.197 177.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.652 ' HB ' HD23 ' A' ' 120' ' ' LEU . 2.8 p -110.12 134.65 51.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.259 -179.439 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.517 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 29.7 t -81.34 107.36 14.06 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.151 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 65.9 t -112.98 116.61 53.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -108.97 87.65 2.54 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.447 -176.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.466 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 35.7 t70 67.69 -71.79 0.1 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 114.828 -1.078 . . . . 0.0 111.468 179.08 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -134.51 6.41 4.56 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.598 -0.81 . . . . 0.0 111.82 178.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -115.27 110.79 45.01 Favored Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -176.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.453 ' CB ' ' HB3' ' A' ' 12' ' ' ARG . 7.5 Cg_exo -73.42 101.71 1.39 Allowed 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.725 2.283 . . . . 0.0 110.627 171.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.517 ' HB3' ' HB3' ' A' ' 111' ' ' SER . 42.5 tt0 -74.25 -70.38 0.4 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.666 -172.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -142.83 146.59 34.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.007 0.432 . . . . 0.0 112.163 -174.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.652 HD23 ' HB ' ' A' ' 110' ' ' VAL . 68.6 mt -100.47 122.2 42.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.092 174.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 38.5 p -129.78 132.54 46.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.775 0.322 . . . . 0.0 110.467 176.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.85 135.04 51.37 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.277 0.561 . . . . 0.0 110.499 -178.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.401 ' CZ2' ' HD3' ' A' ' 134' ' ' ARG . 73.1 m95 -123.44 140.53 52.91 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.102 -174.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -111.28 127.63 55.69 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.461 173.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 55.8 tp -80.5 120.97 25.18 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . . . -58.73 132.47 86.17 Favored Pre-proline 0 N--CA 1.447 -0.576 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.462 176.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 126' ' ' ALA . 53.1 Cg_exo -56.32 -26.36 61.55 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.605 2.203 . . . . 0.0 111.57 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.12 -18.34 65.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.91 176.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 45.4 mtm180 60.08 41.53 17.06 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.294 0.568 . . . . 0.0 110.811 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.3 t -103.14 -32.66 9.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.725 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -168.96 178.8 4.35 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.564 -174.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -105.19 152.73 22.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.432 173.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -123.78 138.01 54.58 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 173.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.401 ' HD3' ' CZ2' ' A' ' 123' ' ' TRP . 2.7 ttp180 -86.17 126.74 34.46 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.506 -178.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -112.23 149.05 32.83 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.497 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -84.72 140.8 31.02 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.875 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 66.8 mt -83.81 115.18 25.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.469 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 1.5 t -108.66 155.33 9.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.077 -174.216 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -105.78 129.65 24.29 Favored Pre-proline 0 C--N 1.311 -1.068 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.018 -176.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.67 140.3 61.54 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.375 2.05 . . . . 0.0 111.831 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.511 ' C ' ' H ' ' A' ' 143' ' ' GLU . 19.2 m-20 -68.03 158.94 82.27 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.232 177.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -73.34 19.78 0.37 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.594 2.196 . . . . 0.0 111.912 175.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.511 ' H ' ' C ' ' A' ' 141' ' ' ASP . 29.7 mt-10 -138.94 76.4 1.57 Allowed 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.312 -1.313 . . . . 0.0 108.674 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.448 ' HA ' ' HD3' ' A' ' 145' ' ' PRO . . . -92.09 141.67 25.47 Favored Pre-proline 0 C--N 1.312 -1.055 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.539 -173.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 144' ' ' ALA . 26.5 Cg_exo -61.44 136.4 63.37 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.625 2.217 . . . . 0.0 111.356 175.271 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 88.9 mt -95.31 134.21 38.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.045 0.45 . . . . 0.0 111.318 -174.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.98 161.77 13.44 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 173.57 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -99.59 -99.93 0.23 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -157.39 109.32 2.38 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 122.611 0.364 . . . . 0.0 110.223 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -92.06 -55.84 3.29 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.995 177.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -152.0 161.12 43.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.847 0.356 . . . . 0.0 111.099 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -118.95 -175.11 2.84 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 173.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' HIS . . . . . 0.935 ' HB3' ' HB3' ' A' ' 72' ' ' GLN . 40.5 p-80 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.744 -0.646 . . . . 0.0 109.435 172.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ttt . . . . . 0 N--CA 1.483 1.207 0 CA-C-O 120.77 0.319 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -107.26 135.75 48.24 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 174.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.426 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 14.6 t -150.97 171.77 16.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.635 0.255 . . . . 0.0 110.678 -177.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.42 ' OG1' HG12 ' A' ' 7' ' ' ILE . 46.4 p -106.96 151.72 40.73 Favored Pre-proline 0 N--CA 1.449 -0.499 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.539 -178.474 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -57.47 -27.76 77.71 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.652 2.235 . . . . 0.0 111.384 175.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.421 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 21.5 t70 -60.08 -44.91 94.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.933 177.125 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.579 ' O ' HG12 ' A' ' 11' ' ' ILE . 40.7 mm -62.45 -45.4 98.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.749 178.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.575 HD11 HG21 ' A' ' 137' ' ' ILE . 83.1 mt -62.58 -37.81 87.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.138 -179.459 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.632 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 16.1 t70 -67.24 -42.55 83.8 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 178.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 57.0 mt-30 -60.71 -30.7 70.11 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.844 175.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.579 HG12 ' O ' ' A' ' 7' ' ' ILE . 42.5 mm -62.34 -46.7 95.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.77 177.15 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.632 ' HG2' ' O ' ' A' ' 9' ' ' ASP . 25.7 ptt180 -65.93 -31.36 72.24 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.1 178.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 9' ' ' ASP . 99.2 t -68.87 -47.38 76.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.774 178.521 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -61.78 -28.32 69.37 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 121.134 -0.226 . . . . 0.0 110.704 -177.297 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.45 ' O ' ' HB2' ' A' ' 19' ' ' TYR . . . -66.45 -49.76 54.29 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.112 179.547 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.83 -34.34 64.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.756 0.312 . . . . 0.0 111.049 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -71.04 -39.46 72.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.19 0.519 . . . . 0.0 111.928 -175.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.488 ' HB1' ' HA3' ' A' ' 23' ' ' GLY . . . -85.69 -27.78 25.1 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.751 -176.076 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.567 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 0.1 OUTLIER -60.15 150.17 72.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.795 -178.592 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.567 ' HA ' ' CG ' ' A' ' 19' ' ' TYR . 88.4 Cg_endo -83.22 -3.49 53.38 Favored 'Cis proline' 0 C--N 1.345 0.382 0 C-N-CA 123.811 -1.329 . . . . 0.0 113.591 3.557 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.69 161.41 30.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.189 0.519 . . . . 0.0 111.435 -177.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -77.17 94.91 4.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.569 -177.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.488 ' HA3' ' HB1' ' A' ' 18' ' ' ALA . . . -114.98 77.54 0.26 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.424 179.428 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.3 m -86.23 -164.69 1.08 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -177.93 -177.44 46.71 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 119.793 -1.194 . . . . 0.0 113.151 178.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -118.77 154.19 33.21 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.693 0.283 . . . . 0.0 110.473 -177.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.476 HD11 HG23 ' A' ' 108' ' ' VAL . 75.5 mt -94.32 118.71 32.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.013 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.618 HD22 ' HB2' ' A' ' 71' ' ' ALA . 58.2 mt -104.75 134.52 47.76 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.92 -154.96 13.59 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 120.294 -0.955 . . . . 0.0 112.318 -178.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 p -135.82 157.85 45.83 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 120.884 0.373 . . . . 0.0 110.512 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.58 106.05 16.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.44 0.638 . . . . 0.0 109.838 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.3 p -74.16 128.35 35.31 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.832 -177.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.7 t70 68.53 1.27 2.9 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 123.705 0.628 . . . . 0.0 110.346 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.6 t70 65.11 30.78 11.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.208 -175.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -133.15 -50.84 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 114.535 -1.212 . . . . 0.0 112.721 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -107.16 161.92 14.33 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -109.23 120.19 41.78 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.678 0.275 . . . . 0.0 111.016 -173.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -100.81 123.22 44.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.835 0.35 . . . . 0.0 110.664 176.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.432 HG11 HD22 ' A' ' 27' ' ' LEU . 54.6 t -89.1 122.79 40.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 174.326 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.82 -31.5 5.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.767 0.318 . . . . 0.0 111.401 -177.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.443 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -134.62 160.22 38.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.859 0.361 . . . . 0.0 111.161 -177.36 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.9 mt -126.39 138.36 53.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.259 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 48.5 t60 -119.07 126.99 52.96 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 174.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.7 mtt-85 -85.47 137.28 33.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.295 -177.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.53 123.74 30.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.517 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.4 t -171.65 148.83 2.5 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.778 -177.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.44 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 3.8 p-10 -85.36 135.32 33.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.639 -176.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 47' ' ' ASN . 23.3 mtt85 -161.54 123.45 2.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.49 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -74.61 95.63 2.85 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 174.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.7 m -116.42 38.67 3.34 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -168.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -70.85 91.82 0.87 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 173.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -126.3 13.38 7.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.289 -174.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.6 ttt180 -141.17 142.69 34.01 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 177.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.2 p -73.11 117.45 14.86 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.672 -177.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 67.66 -178.1 0.21 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.313 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.435 ' HA ' ' HE ' ' A' ' 56' ' ' ARG . 3.1 tpm_? 72.96 21.46 3.25 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.546 -178.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -120.95 155.95 33.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.464 -175.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -122.88 -82.39 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 172.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.91 133.15 35.41 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 174.125 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.6 t -86.95 34.18 0.67 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.968 0.413 . . . . 0.0 111.506 -174.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.03 -3.81 12.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.752 0.31 . . . . 0.0 111.78 -178.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.486 ' OD1' ' HG3' ' A' ' 65' ' ' ARG . 11.7 t70 -88.83 124.0 33.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.838 0.352 . . . . 0.0 110.236 -178.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -76.0 -36.79 59.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.667 -173.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -69.39 -46.0 67.93 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.739 -178.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.486 ' HG3' ' OD1' ' A' ' 62' ' ' ASP . 39.0 mtp180 -57.31 -39.13 75.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.881 0.372 . . . . 0.0 111.194 -177.484 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.69 -36.09 83.16 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.216 176.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.38 -41.02 77.07 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.024 0.44 . . . . 0.0 110.382 176.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.1 -38.1 81.94 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.265 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.44 -42.04 99.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.926 177.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.428 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . . . -63.78 -32.65 74.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.904 179.046 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.618 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -64.68 -48.81 73.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.864 175.048 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -60.44 -36.75 78.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.812 178.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.428 ' OE1' ' HA ' ' A' ' 70' ' ' ALA . 42.0 mt-10 -54.17 -43.36 70.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.387 0.613 . . . . 0.0 111.033 175.317 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -95.42 2.83 54.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.093 -0.958 . . . . 0.0 112.232 -174.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.68 27.9 73.52 Favored Glycine 0 CA--C 1.517 0.194 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.146 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.3 mt -116.88 -174.46 2.58 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -142.54 172.69 12.35 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 172.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.9 t -83.94 107.29 15.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 -176.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.4 m -96.28 -4.87 10.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.523 -176.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.401 ' HA3' HD12 ' A' ' 27' ' ' LEU . . . 178.27 -175.92 47.71 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.616 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.3 t -140.6 154.19 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.458 ' HB3' ' HB ' ' A' ' 108' ' ' VAL . 53.7 p90 -133.83 136.49 44.46 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.026 0.441 . . . . 0.0 109.886 175.437 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -142.54 133.97 26.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.696 -176.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.2 m -106.48 128.66 54.25 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.548 -176.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.476 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 3.3 p-80 -125.24 144.59 47.95 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.141 177.201 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 2.7 Cg_exo -76.14 157.85 37.9 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.829 2.353 . . . . 0.0 111.415 175.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.2 t70 71.21 152.24 0.11 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.906 0.754 . . . . 0.0 111.403 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.441 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 36.5 m80 67.44 143.13 0.08 OUTLIER Pre-proline 0 N--CA 1.468 0.455 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.149 -174.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 88' ' ' HIS . 5.9 Cg_exo -78.84 78.02 3.86 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.814 2.342 . . . . 0.0 111.473 178.01 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.546 ' H ' ' HB2' ' A' ' 111' ' ' SER . . . 61.13 -154.49 0.36 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.069 -177.185 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.434 ' HG2' ' CZ2' ' A' ' 123' ' ' TRP . 44.4 mtm180 65.5 148.06 0.11 Allowed Pre-proline 0 C--O 1.236 0.354 0 O-C-N 123.622 0.577 . . . . 0.0 111.89 -179.169 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -62.67 124.83 14.83 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.376 2.051 . . . . 0.0 112.0 178.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.405 ' H ' ' HB3' ' A' ' 96' ' ' ASP . 21.8 m -85.25 177.82 7.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.674 176.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.23 -49.28 77.75 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -172.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.5 m -79.92 -33.33 39.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.48 0.657 . . . . 0.0 109.89 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.405 ' HB3' ' H ' ' A' ' 93' ' ' SER . 18.7 t70 -60.25 -42.28 94.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.165 178.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.749 ' HG ' ' HE1' ' A' ' 132' ' ' PHE . 6.2 tt -70.23 -42.09 72.7 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.499 177.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -58.39 -39.57 80.02 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -175.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -92.65 8.37 39.38 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -174.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.64 74.61 10.24 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.384 0.612 . . . . 0.0 109.41 172.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.93 19.32 20.72 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.936 -171.317 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -119.76 86.82 36.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.842 0.353 . . . . 0.0 111.679 -177.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -65.34 156.55 62.62 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.939 2.426 . . . . 0.0 111.882 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.97 -28.76 13.75 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.651 -177.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -90.54 143.95 26.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.899 0.38 . . . . 0.0 110.614 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.5 m -92.01 132.19 36.73 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 175.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -106.44 119.69 39.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.022 0.439 . . . . 0.0 111.449 -174.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.476 HG23 HD11 ' A' ' 27' ' ' LEU . 58.5 t -96.05 121.66 46.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.64 173.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.4 mm -110.23 118.43 57.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.764 -178.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 4.0 p -132.8 128.74 57.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.278 178.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.546 ' HB2' ' H ' ' A' ' 90' ' ' ALA . 21.5 t -88.97 107.51 19.06 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.944 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.475 ' HA ' ' HA ' ' A' ' 117' ' ' PRO . 40.1 t -105.36 116.26 48.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 177.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.444 ' C ' ' H ' ' A' ' 115' ' ' GLY . 56.0 mtp180 -125.33 120.02 29.99 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.202 -171.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 113' ' ' ARG . 22.8 t70 72.08 -16.67 0.4 Allowed 'General case' 0 N--CA 1.472 0.664 0 O-C-N 123.845 0.716 . . . . 0.0 111.688 179.398 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.444 ' H ' ' C ' ' A' ' 113' ' ' ARG . . . 138.7 -11.98 3.43 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -177.533 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.435 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . . . -107.28 119.92 49.37 Favored Pre-proline 0 N--CA 1.453 -0.277 0 CA-C-O 120.727 0.299 . . . . 0.0 111.334 -178.387 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 112' ' ' VAL . 4.4 Cg_exo -77.85 113.37 3.45 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 123.224 2.616 . . . . 0.0 111.216 173.131 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -83.31 -69.19 0.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.892 0.377 . . . . 0.0 111.381 -176.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' A' ' 90' ' ' ALA . . . -109.52 128.91 55.53 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.503 -175.198 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.66 124.4 50.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.398 175.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 28.2 p -138.07 137.83 38.17 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 -176.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -110.11 133.74 52.9 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.488 ' CZ3' ' HB2' ' A' ' 134' ' ' ARG . 60.3 m95 -133.04 140.62 47.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.814 -174.496 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.63 133.45 49.46 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 172.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 65.4 tp -85.06 140.71 30.79 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.698 -176.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.15 142.04 92.38 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 173.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -51.83 -40.57 65.87 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.881 2.387 . . . . 0.0 112.545 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -86.53 1.26 52.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.796 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 12.7 mtm180 61.24 30.43 19.2 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.856 -178.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.6 m -63.95 -43.99 94.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.241 177.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.08 -173.61 3.5 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.947 -177.59 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.749 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 59.9 m-85 -114.75 145.43 42.1 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.526 172.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -122.59 124.59 43.85 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.399 0.619 . . . . 0.0 110.071 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.488 ' HB2' ' CZ3' ' A' ' 123' ' ' TRP . 11.6 tpt180 -73.77 139.57 45.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.501 -1.227 . . . . 0.0 111.474 -174.191 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -131.24 156.27 45.68 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 175.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -96.93 165.72 11.96 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -178.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.575 HG21 HD11 ' A' ' 8' ' ' LEU . 47.2 mm -84.45 113.24 22.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.033 0.444 . . . . 0.0 110.99 -174.534 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 14.2 m -115.14 141.85 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.243 175.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -85.55 157.54 58.22 Favored Pre-proline 0 N--CA 1.442 -0.861 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.405 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 3' ' ' THR . 45.9 Cg_exo -55.07 115.34 2.37 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.135 1.89 . . . . 0.0 111.027 174.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -45.49 128.44 6.28 Favored Pre-proline 0 N--CA 1.461 0.12 0 O-C-N 123.823 0.702 . . . . 0.0 109.968 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -13.73 71.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.358 1.031 1 C-N-CA 126.489 4.793 . . . . 0.0 116.158 -164.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 46.76 36.41 3.81 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.802 178.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -76.9 116.91 61.16 Favored Pre-proline 0 C--N 1.31 -1.11 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.0 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -89.59 -170.92 0.47 Allowed 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 122.922 2.415 . . . . 0.0 111.697 177.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 146' ' ' LEU . 4.7 mp -81.5 104.33 11.85 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 176.17 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -60.34 -56.21 24.25 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.433 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -92.69 97.29 10.69 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 171.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -86.11 22.32 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.564 -172.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -81.75 29.88 0.38 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.289 0.566 . . . . 0.0 111.415 -174.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -102.77 4.67 38.19 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 170.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.49 149.02 16.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.344 -1.298 . . . . 0.0 108.54 178.116 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 72.0 t60 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.575 -0.726 . . . . 0.0 110.224 -179.234 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.534 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 16.7 ttt . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.774 0.321 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -101.23 136.46 41.04 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 174.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.0 t -157.72 173.4 16.88 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 175.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.7 p -112.7 154.06 44.87 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.778 0.323 . . . . 0.0 110.927 -176.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.52 ' HA ' HD12 ' A' ' 8' ' ' LEU . 13.0 Cg_endo -57.4 -29.59 84.94 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.059 2.506 . . . . 0.0 112.165 178.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -60.63 -43.14 97.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.253 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.462 ' O ' HG13 ' A' ' 11' ' ' ILE . 49.5 mm -68.22 -43.41 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.393 176.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.66 HD11 HG21 ' A' ' 137' ' ' ILE . 85.4 mt -56.08 -42.25 76.43 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.119 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.685 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 27.2 t70 -67.64 -42.47 82.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.32 -179.381 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -58.56 -30.86 67.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.225 176.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 7' ' ' ILE . 70.5 mt -71.88 -50.27 39.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.815 0.34 . . . . 0.0 110.768 175.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.685 ' HG2' ' HA ' ' A' ' 9' ' ' ASP . 5.9 ptp180 -66.19 -37.04 84.65 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.947 -174.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 9' ' ' ASP . 70.6 t -64.36 -49.0 82.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-O 120.743 0.306 . . . . 0.0 110.737 -178.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -67.35 -28.86 68.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.615 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.63 -42.55 87.69 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.417 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.25 -34.44 65.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.128 0.489 . . . . 0.0 110.414 178.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -63.71 -37.37 87.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.694 176.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.44 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -107.41 48.72 0.83 Allowed 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.493 -178.576 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.74 ' CE2' ' HA ' ' A' ' 114' ' ' ASP . 67.1 t80 -90.64 142.0 27.55 Favored Pre-proline 0 C--N 1.326 -0.413 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 177.151 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.681 ' HA ' ' CD1' ' A' ' 19' ' ' TYR . 84.2 Cg_endo -83.97 -12.6 39.9 Favored 'Cis proline' 0 C--N 1.349 0.591 0 C-N-CA 123.751 -1.354 . . . . 0.0 113.548 2.321 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.481 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 7.8 pt-20 -168.82 114.79 0.61 Allowed 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.138 0.494 . . . . 0.0 111.536 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 28.2 mm-40 -168.35 8.04 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.07 174.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -146.66 39.23 1.1 Allowed Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 119.734 -1.222 . . . . 0.0 114.142 -171.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.0 p -83.8 -175.72 5.94 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 172.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.488 ' HA2' ' HB2' ' A' ' 45' ' ' ALA . . . 161.75 -162.62 34.16 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 119.69 -1.243 . . . . 0.0 113.391 177.544 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -112.1 160.06 17.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.894 0.378 . . . . 0.0 110.868 -175.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.0 mt -100.76 119.87 39.27 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.202 178.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.5 mt -104.87 134.2 48.39 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.79 -159.13 21.12 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 120.193 -1.003 . . . . 0.0 111.947 -177.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.475 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 0.7 OUTLIER -136.07 161.15 36.49 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 120.909 0.385 . . . . 0.0 110.631 -179.359 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.6 t -88.09 106.85 16.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 174.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.405 ' HB ' ' HD2' ' A' ' 38' ' ' ARG . 7.2 t -91.34 -40.26 11.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.274 -163.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -74.09 -11.43 60.31 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.694 0.759 . . . . 0.0 109.192 173.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.4 t70 70.46 9.7 7.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 113.721 -1.582 . . . . 0.0 108.713 -171.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -136.82 -24.45 0.47 Allowed Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 114.09 -1.413 . . . . 0.0 111.758 176.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -131.47 154.64 48.51 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.534 ' O ' ' HA ' ' A' ' 1' ' ' MET . 9.2 p30 -94.08 147.94 22.65 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 121.524 0.678 . . . . 0.0 112.232 -170.263 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.475 ' HG2' ' O ' ' A' ' 30' ' ' THR . 5.2 ptm180 -116.14 146.13 42.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.255 171.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 82.0 t -103.59 119.72 52.61 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.57 -33.57 3.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.464 -175.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.72 133.86 51.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.164 0.507 . . . . 0.0 111.407 -176.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.2 mt -98.82 150.23 22.07 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.096 176.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -146.85 137.57 23.84 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 174.29 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -91.87 138.05 31.86 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.093 -175.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.488 ' HB2' ' HA2' ' A' ' 25' ' ' GLY . . . -64.48 120.94 13.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.042 0.449 . . . . 0.0 110.668 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.7 t -162.56 150.3 13.94 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.296 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -166.98 -45.86 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.615 -176.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 62.85 27.41 16.01 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.362 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? 73.83 -48.37 0.67 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 114.816 -1.084 . . . . 0.0 113.208 173.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.3 t 59.33 34.24 22.8 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 -173.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -60.55 -53.33 58.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 114.547 -1.206 . . . . 0.0 112.119 -170.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -98.66 144.13 28.28 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.779 0.323 . . . . 0.0 110.313 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -156.96 139.82 15.23 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.589 -177.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.0 m -66.55 -63.59 1.04 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -175.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -107.67 142.17 38.04 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 176.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 70.87 137.69 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.851 0.72 . . . . 0.0 110.409 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -103.17 -35.8 8.35 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 122.261 -0.274 . . . . 0.0 110.907 -177.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 64.92 -168.58 0.21 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.259 -178.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 60' ' ' THR . 2.9 pp -174.96 -30.78 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.976 -1.011 . . . . 0.0 108.726 176.07 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.554 ' N ' HD12 ' A' ' 59' ' ' LEU . 1.0 OUTLIER -94.56 67.06 3.33 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.247 172.308 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -121.18 19.16 11.54 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.63 178.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -65.72 165.92 11.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.777 -1.102 . . . . 0.0 111.307 -176.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -53.81 -37.61 63.71 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.158 0.504 . . . . 0.0 109.991 177.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -55.54 -43.01 75.41 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.57 178.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -35.77 81.85 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.899 -178.239 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.3 -44.42 87.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.861 0.362 . . . . 0.0 110.902 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.04 -35.45 76.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.083 175.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.19 -44.2 92.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.793 177.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.29 -47.8 82.52 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.423 176.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.65 -34.96 76.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.76 178.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.69 -51.62 67.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.835 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -64.82 -35.1 80.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.665 0.269 . . . . 0.0 111.09 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -62.24 -40.87 97.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.183 0.516 . . . . 0.0 111.94 176.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -83.27 -25.39 31.65 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.644 -177.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.33 30.14 11.32 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -173.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 71.7 mt -123.67 -173.85 2.84 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -176.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -141.11 171.8 13.56 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 171.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.0 t -85.23 107.96 16.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.943 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 35.3 m -93.71 -10.07 9.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.687 -173.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.467 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . 173.62 -168.8 41.8 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 119.795 -1.193 . . . . 0.0 113.15 179.395 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.5 t -137.52 156.68 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.411 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 53.2 p90 -131.66 137.2 48.23 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.4 0.619 . . . . 0.0 111.045 176.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.8 m170 -118.56 151.61 37.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.481 -178.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.8 p -104.96 130.97 53.03 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.853 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.469 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 0.7 OUTLIER -120.77 147.0 44.92 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.707 -179.388 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 2.7 Cg_exo -76.99 -162.45 0.17 Allowed 'Trans proline' 0 CA--C 1.531 0.332 0 C-N-CA 123.881 3.054 . . . . 0.0 113.174 -178.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.457 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 26.1 t70 -46.51 157.08 0.15 Allowed 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.219 1.008 . . . . 0.0 112.245 -179.252 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.459 ' HB3' ' HD2' ' A' ' 89' ' ' PRO . 41.0 m80 69.1 157.74 0.15 Allowed Pre-proline 0 N--CA 1.474 0.75 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.863 -170.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.459 ' HD2' ' HB3' ' A' ' 88' ' ' HIS . 19.7 Cg_endo -59.36 125.83 19.09 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.161 2.574 . . . . 0.0 112.587 -175.41 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.485 ' HB1' HG22 ' A' ' 109' ' ' ILE . . . -75.87 97.03 3.82 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.614 -174.447 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -110.08 146.44 34.19 Favored Pre-proline 0 C--N 1.318 -0.796 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 164.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -56.17 128.75 31.45 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.698 2.265 . . . . 0.0 113.342 -173.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.9 m -79.28 -179.19 6.61 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.702 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.6 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -60.87 -47.62 85.56 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.702 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 89.4 m -62.76 -31.93 72.97 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.699 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -57.24 -45.0 84.35 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.127 0.489 . . . . 0.0 109.924 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 97' ' ' LEU . 1.6 tm? -70.05 -43.84 70.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.164 177.471 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.6 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 47.0 mt-10 -52.56 -40.39 62.52 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.424 -174.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -100.73 6.18 43.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.009 0.433 . . . . 0.0 111.171 -174.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.44 65.57 9.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.253 0.549 . . . . 0.0 110.765 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.552 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 1.2 m -99.21 26.71 5.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.431 -179.132 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.408 ' HB3' ' CD1' ' A' ' 105' ' ' PHE . 80.8 m-85 -111.44 87.08 7.32 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.052 -178.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.552 ' HD3' ' O ' ' A' ' 101' ' ' THR . 7.8 Cg_exo -72.48 124.01 9.54 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 122.632 2.221 . . . . 0.0 112.078 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 101.76 12.95 33.46 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.002 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.467 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 19.3 m-85 -112.15 148.1 34.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.802 0.334 . . . . 0.0 110.518 179.099 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 21.7 m -95.85 129.97 42.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.001 176.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -106.37 111.45 24.04 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.848 0.356 . . . . 0.0 110.864 -177.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 82' ' ' TYR . 60.0 t -99.06 124.71 52.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.009 0.433 . . . . 0.0 110.145 177.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.485 HG22 ' HB1' ' A' ' 90' ' ' ALA . 53.1 mt -120.26 121.69 66.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.83 178.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.523 HG23 ' HG ' ' A' ' 120' ' ' LEU . 7.2 p -103.68 134.42 44.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.453 0.644 . . . . 0.0 110.924 -177.618 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.6 m -85.84 106.82 17.34 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.035 178.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.1 t -113.43 114.8 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.057 0.456 . . . . 0.0 110.142 178.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.473 HH11 ' HD3' ' A' ' 113' ' ' ARG . 1.0 OUTLIER -98.75 90.01 4.54 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.366 -179.137 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.74 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 17.4 t70 56.32 28.67 13.75 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.59 175.22 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.406 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 114.66 -7.92 22.12 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.54 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -106.8 101.57 37.6 Favored Pre-proline 0 C--N 1.322 -0.629 0 O-C-N 122.787 -0.243 . . . . 0.0 110.639 176.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 5.5 Cg_exo -76.98 110.15 2.98 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 123.03 2.487 . . . . 0.0 111.227 177.373 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -92.92 -68.55 0.79 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.029 0.442 . . . . 0.0 111.471 -174.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -115.74 142.1 47.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.334 -174.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.523 ' HG ' HG23 ' A' ' 110' ' ' VAL . 6.6 mp -114.32 122.57 47.11 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.393 -0.821 . . . . 0.0 108.949 174.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 49.9 p -119.62 135.54 54.76 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.628 -175.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.79 138.47 46.11 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 121.153 0.501 . . . . 0.0 110.035 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.444 ' HB3' ' HB3' ' A' ' 132' ' ' PHE . 77.0 m95 -131.31 139.13 49.5 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.703 -175.285 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.3 132.95 49.99 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.57 174.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 60.1 tp -80.48 131.97 35.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.687 -177.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.35 143.33 98.71 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.799 175.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_exo -52.28 -39.57 72.01 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.953 2.435 . . . . 0.0 112.924 -177.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -92.11 10.29 29.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 -177.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 60.55 24.42 14.1 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.099 0.476 . . . . 0.0 110.677 -177.472 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.2 m -63.26 -38.35 90.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.846 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -171.74 -175.53 1.57 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.436 -175.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.444 ' HB3' ' HB3' ' A' ' 123' ' ' TRP . 63.2 m-85 -106.75 156.61 18.47 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 170.495 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -121.09 137.31 54.72 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 22.4 tpt85 -81.94 135.91 35.35 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 114.622 -1.172 . . . . 0.0 111.386 -172.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -146.8 155.99 42.78 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 114.741 -1.118 . . . . 0.0 108.913 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -106.77 171.44 7.36 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.66 HG21 HD11 ' A' ' 8' ' ' LEU . 50.4 mm -83.91 119.71 33.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.021 0.439 . . . . 0.0 111.043 -174.566 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 11.8 m -109.49 144.67 17.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.421 177.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -91.19 157.22 43.08 Favored Pre-proline 0 C--N 1.318 -0.803 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.122 -179.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -67.14 86.02 0.32 Allowed 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.201 1.934 . . . . 0.0 112.592 178.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -138.32 79.83 29.69 Favored Pre-proline 0 C--N 1.318 -0.798 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.973 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -82.93 39.75 0.87 Allowed 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 123.347 2.698 . . . . 0.0 112.343 -176.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -108.82 -10.21 15.14 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.122 -177.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.44 ' HA ' ' HD3' ' A' ' 145' ' ' PRO . . . -77.54 140.15 63.94 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.504 178.441 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 144' ' ' ALA . 35.3 Cg_exo -58.26 149.68 71.54 Favored 'Trans proline' 0 C--O 1.236 0.388 0 C-N-CA 122.936 2.424 . . . . 0.0 112.243 178.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.52 150.62 43.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.362 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -58.77 -64.04 1.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.575 0.547 . . . . 0.0 111.374 -176.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 16.6 m80 54.11 75.2 0.29 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.756 -174.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.09 99.96 0.4 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.415 -178.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -96.11 -8.95 31.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.358 -178.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -119.8 101.74 8.1 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.025 0.441 . . . . 0.0 111.306 177.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 36.6 t60 -76.85 -27.41 55.07 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.329 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.452 -0.785 . . . . 0.0 109.902 179.584 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.638 ' HA ' ' O ' ' A' ' 36' ' ' ASP . 20.8 ttt . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 120.686 0.279 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -100.5 122.14 42.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.393 176.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.534 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 9.7 t -158.64 167.01 30.69 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.827 175.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.424 ' OG1' HG12 ' A' ' 7' ' ' ILE . 17.2 p -98.85 153.84 37.66 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 120.838 0.351 . . . . 0.0 111.318 -176.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -54.53 -31.94 71.76 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.0 2.466 . . . . 0.0 111.937 174.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -61.75 -46.71 88.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.6 176.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.519 ' O ' HG13 ' A' ' 11' ' ' ILE . 44.9 mm -63.35 -44.46 99.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.22 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.28 -40.89 83.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.778 177.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -67.28 -43.55 81.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.401 178.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -56.6 -36.59 69.57 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.435 176.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 7' ' ' ILE . 81.3 mt -58.55 -47.0 89.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.084 0.469 . . . . 0.0 110.125 176.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.1 mtm180 -65.13 -46.78 79.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.123 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.0 t -69.03 -48.08 71.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.606 -176.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.24 -28.65 68.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.58 0.229 . . . . 0.0 110.951 -176.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.25 -43.49 98.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.509 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.496 ' HB1' ' HA2' ' A' ' 115' ' ' GLY . . . -73.24 -29.09 62.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.122 0.487 . . . . 0.0 110.491 177.403 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.86 -37.64 87.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.003 178.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.66 -38.95 80.82 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.677 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.769 ' HE2' ' HB ' ' A' ' 112' ' ' VAL . 23.1 m-30 -69.6 156.11 92.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.876 -176.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.468 ' HA ' ' HB3' ' A' ' 19' ' ' TYR . 2.8 Cg_exo -76.54 -3.14 25.32 Favored 'Cis proline' 0 C--N 1.347 0.456 0 C-N-CA 124.485 -1.048 . . . . 0.0 113.243 4.176 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -73.92 -173.19 1.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.264 177.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.81 -175.22 3.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.674 0.273 . . . . 0.0 111.049 178.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.99 91.79 1.62 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.47 -175.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.4 m -78.96 -163.8 0.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.695 0.283 . . . . 0.0 111.147 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -153.54 -171.81 21.08 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.346 -0.93 . . . . 0.0 112.711 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.441 ' HB3' HG13 ' A' ' 78' ' ' VAL . 94.9 m-85 -114.28 161.4 17.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.683 0.278 . . . . 0.0 110.808 -177.087 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.662 HD11 HG23 ' A' ' 108' ' ' VAL . 86.4 mt -94.51 122.63 37.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.72 178.553 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.612 HD22 ' HB2' ' A' ' 71' ' ' ALA . 58.3 mt -104.44 131.69 51.52 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.933 0.397 . . . . 0.0 110.183 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.552 ' HA2' HD13 ' A' ' 76' ' ' LEU . . . 175.34 -145.48 7.81 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 120.389 -0.91 . . . . 0.0 111.948 -179.107 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -135.98 152.29 50.8 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.701 0.286 . . . . 0.0 111.412 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.7 t -89.97 123.03 41.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 176.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -114.24 119.17 36.13 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -175.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.9 t70 56.71 -85.85 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 114.147 -1.388 . . . . 0.0 113.61 166.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -88.22 -20.64 25.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.017 0.437 . . . . 0.0 111.358 -174.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.2 22.69 7.04 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.44 -0.886 . . . . 0.0 111.044 -174.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.638 ' O ' ' HA ' ' A' ' 1' ' ' MET . 25.6 t70 -66.12 -35.95 81.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.478 0.656 . . . . 0.0 109.677 176.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 75.32 130.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.314 -1.312 . . . . 0.0 112.962 173.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 38' ' ' ARG . 36.7 ttt180 -112.19 106.5 15.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.775 -1.102 . . . . 0.0 109.486 -179.462 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 76.4 t -98.88 115.67 39.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.193 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.43 2.9 10.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.993 -175.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.51 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -149.25 140.69 23.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.047 0.451 . . . . 0.0 111.583 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.0 mt -119.57 137.04 54.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.284 177.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -141.94 135.03 28.99 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.099 0.476 . . . . 0.0 110.2 177.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -79.57 138.65 37.54 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.93 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.59 95.79 1.13 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.173 0.511 . . . . 0.0 110.798 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.0 t -161.25 153.16 19.59 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.015 176.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -101.64 -85.01 0.43 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -175.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 61.86 104.53 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.326 0.584 . . . . 0.0 111.661 -176.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -143.22 -13.62 0.7 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -176.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.7 m 49.35 86.56 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.636 0.732 . . . . 0.0 112.178 -177.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -106.77 171.32 7.43 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.517 -173.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -162.38 -38.04 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.308 173.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -153.09 -85.22 0.07 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.178 174.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.9 m -107.13 101.39 10.8 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.524 -172.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -137.52 30.6 2.61 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 173.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 59.02 78.95 0.24 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.023 -169.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -73.29 141.36 47.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.403 -172.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -123.94 112.66 17.48 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.486 176.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.3 tp -52.34 -61.98 1.93 Allowed 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.083 -169.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.4 m -107.25 73.96 0.95 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.318 0.58 . . . . 0.0 110.441 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.581 ' HA ' ' HB2' ' A' ' 65' ' ' ARG . . . -119.82 78.85 1.37 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.09 177.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -112.71 -59.73 1.97 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.205 -176.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -115.68 -68.53 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.584 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -60.72 -52.41 65.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.647 -172.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.581 ' HB2' ' HA ' ' A' ' 61' ' ' ALA . 0.5 OUTLIER -58.43 -35.06 71.52 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -176.884 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.82 -39.22 80.14 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.959 0.409 . . . . 0.0 110.644 178.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.58 -36.93 76.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.925 174.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -59.95 -48.72 80.56 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.865 177.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.425 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -56.56 -52.74 63.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.763 178.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.73 -39.74 89.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.914 178.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.612 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -59.92 -49.54 77.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.657 178.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.91 -33.55 75.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.131 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 36.2 mm-40 -60.93 -43.47 98.58 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 175.494 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -76.89 -37.43 55.5 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 177.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.29 28.39 3.83 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 -177.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.552 HD13 ' HA2' ' A' ' 29' ' ' GLY . 61.6 mt -126.73 178.87 5.66 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -176.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -135.15 174.0 11.1 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 173.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.441 HG13 ' HB3' ' A' ' 26' ' ' PHE . 46.4 t -78.81 106.26 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.019 -179.057 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.6 m -101.15 -2.54 9.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.465 -176.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.498 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -179.94 -173.18 44.71 Favored Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 120.031 -1.081 . . . . 0.0 112.505 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.0 t -138.2 156.15 30.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -131.94 137.35 47.91 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.888 0.375 . . . . 0.0 110.255 176.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -130.7 132.76 45.56 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.249 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.54 ' HA ' ' O ' ' A' ' 110' ' ' VAL . 48.2 p -106.88 141.22 38.45 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.089 178.216 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -98.91 140.09 21.5 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 175.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -102.83 -4.13 0.28 Allowed 'Trans proline' 0 N--CA 1.455 -0.769 0 C-N-CA 123.224 2.616 . . . . 0.0 113.363 176.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -128.71 -65.67 0.87 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.08 -172.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -84.3 157.71 61.76 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.27 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.38 -164.14 0.13 Allowed 'Trans proline' 0 C--O 1.238 0.5 0 C-N-CA 123.161 2.574 . . . . 0.0 114.034 -173.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.21 -173.8 0.73 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.837 -178.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.488 ' HG3' ' CZ2' ' A' ' 123' ' ' TRP . 0.0 OUTLIER 66.16 144.65 0.09 OUTLIER Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.372 -173.234 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.63 137.63 27.92 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.579 2.186 . . . . 0.0 112.249 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 85.5 p -90.69 -178.48 5.29 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.972 178.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.559 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -58.12 -40.93 82.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.809 0.338 . . . . 0.0 110.358 174.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.431 ' HA ' ' OE1' ' A' ' 98' ' ' GLU . 4.6 m -64.73 -34.76 79.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -66.97 -40.26 87.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.007 0.432 . . . . 0.0 109.846 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.54 -40.69 97.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.62 175.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.559 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 51.3 mt-10 -57.42 -40.05 77.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.55 177.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -77.53 -18.41 57.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.348 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.63 93.59 6.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.121 0.486 . . . . 0.0 111.261 -177.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.1 m -123.93 18.42 9.32 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.762 0.791 . . . . 0.0 110.018 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.531 ' HB3' ' CD1' ' A' ' 105' ' ' PHE . 94.8 m-85 -117.62 87.2 25.33 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.944 177.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.506 ' HB3' ' HA ' ' A' ' 127' ' ' PRO . 16.4 Cg_exo -67.75 -5.55 14.63 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 123.042 2.495 . . . . 0.0 113.454 -174.318 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -114.36 19.96 16.55 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.091 178.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.531 ' CD1' ' HB3' ' A' ' 102' ' ' PHE . 7.7 m-85 -119.84 149.47 42.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.729 0.3 . . . . 0.0 110.663 -179.39 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.2 m -92.64 129.49 38.55 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -105.7 114.2 28.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.086 0.469 . . . . 0.0 111.068 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.662 HG23 HD11 ' A' ' 27' ' ' LEU . 99.5 t -96.25 120.43 45.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.13 177.148 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 49.0 mm -110.55 118.51 57.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.663 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.574 HG23 ' HB3' ' A' ' 120' ' ' LEU . 2.7 p -124.2 132.58 71.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.512 0.672 . . . . 0.0 111.035 -178.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.511 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 21.5 t -99.3 107.68 20.02 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.347 176.4 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.769 ' HB ' ' HE2' ' A' ' 19' ' ' TYR . 35.5 t -108.47 115.92 50.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.356 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -94.18 61.3 2.87 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -173.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 36.5 t70 54.97 82.36 0.1 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.165 -177.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.496 ' HA2' ' HB1' ' A' ' 16' ' ' ALA . . . 86.14 -30.99 4.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.639 179.328 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -101.48 106.06 43.83 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 120.898 0.38 . . . . 0.0 111.411 -178.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.459 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 14.7 Cg_exo -69.76 110.12 2.48 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.678 2.252 . . . . 0.0 111.795 178.009 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.511 ' HB3' ' HB3' ' A' ' 111' ' ' SER . 35.9 tt0 -70.3 -69.79 0.33 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.93 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -153.8 132.83 12.51 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.347 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.574 ' HB3' HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -119.76 139.7 51.89 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 174.271 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.7 m -149.76 156.8 42.45 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.875 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.5 133.4 53.13 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 176.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.488 ' CZ2' ' HG3' ' A' ' 91' ' ' ARG . 73.6 m95 -119.81 146.68 45.48 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.918 -174.045 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.08 126.99 51.63 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.203 175.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 103' ' ' PRO . 61.9 tp -81.09 135.25 35.79 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.56 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.55 125.37 79.43 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 172.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.506 ' HA ' ' HB3' ' A' ' 103' ' ' PRO . 12.4 Cg_endo -56.92 -21.87 43.19 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.841 2.361 . . . . 0.0 112.159 -178.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -83.04 -2.11 54.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.507 178.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 64.16 37.51 8.86 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.781 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.5 m -90.39 -52.24 5.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.29 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -163.41 -175.27 4.14 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.889 -175.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -105.62 149.58 26.19 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -128.21 150.66 49.93 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.913 0.387 . . . . 0.0 110.438 176.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -77.39 139.64 39.75 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.727 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -138.32 152.24 48.31 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 176.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -86.46 137.16 32.76 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.09 0.471 . . . . 0.0 111.259 -177.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 73.2 mt -86.02 115.43 27.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.806 177.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.5 155.63 13.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.744 -176.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.445 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 47.9 mtp180 -77.31 147.89 76.73 Favored Pre-proline 0 C--N 1.316 -0.852 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.308 177.294 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.534 ' HD3' ' O ' ' A' ' 3' ' ' THR . 33.5 Cg_exo -61.24 135.78 60.33 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.764 2.309 . . . . 0.0 111.753 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.13 121.3 70.98 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.752 -178.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -82.18 16.6 1.73 Allowed 'Trans proline' 0 CA--C 1.519 -0.258 0 C-N-CA 122.821 2.347 . . . . 0.0 113.603 -173.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -145.19 93.72 2.42 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 114.854 -1.066 . . . . 0.0 109.189 177.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.436 ' HA ' ' HD3' ' A' ' 145' ' ' PRO . . . -138.56 130.18 15.6 Favored Pre-proline 0 C--N 1.307 -1.257 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.392 -179.127 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 144' ' ' ALA . 11.5 Cg_exo -69.05 131.45 22.26 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.652 2.235 . . . . 0.0 111.4 176.697 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 84.0 mt -90.27 -46.44 8.41 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.245 -178.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -87.77 60.62 6.02 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-O 121.381 0.61 . . . . 0.0 111.042 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 25.4 p-80 -62.89 138.54 58.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.432 175.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -77.52 74.19 4.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.646 0.736 . . . . 0.0 111.316 -173.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -160.66 64.08 0.31 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 173.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -79.18 76.63 5.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.148 -173.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -105.7 128.53 53.73 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.423 177.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 27.1 p80 . . . . . 0 C--O 1.247 0.943 0 CA-C-O 117.914 -1.041 . . . . 0.0 110.229 -179.862 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ttt . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.684 -0.117 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.536 ' HD2' ' OD2' ' A' ' 36' ' ' ASP . 0.5 OUTLIER -95.72 125.95 40.65 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 174.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.1 t -158.42 155.61 28.92 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.866 0.365 . . . . 0.0 110.367 175.087 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.7 p -82.84 154.91 68.08 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.063 -174.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.408 ' HD3' ' HG3' ' A' ' 139' ' ' ARG . 18.8 Cg_endo -60.6 -29.63 88.88 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.591 2.194 . . . . 0.0 111.013 177.005 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.538 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 21.3 t70 -61.8 -49.16 77.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.71 175.632 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.587 ' O ' HG13 ' A' ' 11' ' ' ILE . 38.7 mm -66.38 -42.42 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.311 178.571 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.651 HD21 HG21 ' A' ' 137' ' ' ILE . 77.1 mt -57.13 -43.75 82.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.008 176.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 13' ' ' VAL . 22.2 t70 -62.55 -43.99 97.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.152 178.463 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 70.4 mt-30 -60.85 -34.79 75.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.144 178.559 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 7' ' ' ILE . 66.4 mt -65.47 -41.26 90.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-O 120.866 0.365 . . . . 0.0 110.216 176.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -65.24 -49.55 69.22 Favored 'General case' 0 N--CA 1.435 -1.19 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.615 177.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 9' ' ' ASP . 66.6 t -58.21 -35.6 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.408 178.076 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.465 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 77.5 t60 -53.68 -29.95 41.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.522 178.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.7 -49.83 74.24 Favored Glycine 0 C--O 1.226 -0.35 0 C-N-CA 120.476 -0.869 . . . . 0.0 111.968 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.89 -40.57 54.17 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.209 0.528 . . . . 0.0 111.048 176.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -66.3 -38.6 88.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.423 -172.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' A' ' 21' ' ' GLU . . . -80.77 -38.2 28.97 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.627 -177.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -69.31 149.13 97.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.719 -174.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -79.83 -1.98 39.0 Favored 'Cis proline' 0 CA--C 1.533 0.469 0 C-N-CA 124.488 -1.047 . . . . 0.0 113.832 4.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.488 ' HB2' ' O ' ' A' ' 18' ' ' ALA . 7.9 mm-40 -65.69 -165.62 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.442 0 CA-C-O 121.043 0.449 . . . . 0.0 111.691 -178.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.485 ' O ' ' HB1' ' A' ' 18' ' ' ALA . 9.7 tp10 -58.29 129.73 43.37 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.186 0.517 . . . . 0.0 111.752 -175.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -108.92 -3.25 31.92 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.161 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 38.8 m -92.68 162.91 13.96 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.985 0.422 . . . . 0.0 110.685 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -179.76 -174.31 45.58 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.099 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -123.87 148.92 46.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.725 0.297 . . . . 0.0 110.604 -176.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.5 mt -94.92 120.62 35.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.902 178.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.538 HD22 ' HB2' ' A' ' 71' ' ' ALA . 72.8 mt -105.25 132.2 51.75 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.327 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.87 -154.24 10.54 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.083 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.03 159.98 40.02 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.583 HG12 ' HA ' ' A' ' 34' ' ' ASP . 25.9 t -98.46 117.58 43.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-O 121.398 0.618 . . . . 0.0 109.959 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.6 m -81.37 111.4 17.7 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.755 -175.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 t70 64.83 7.02 3.63 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.046 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.583 ' HA ' HG12 ' A' ' 31' ' ' VAL . 26.4 t70 65.13 17.5 11.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.2 -175.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.2 -42.89 2.91 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.537 177.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.536 ' OD2' ' HD2' ' A' ' 2' ' ' LYS . 42.3 t0 -145.96 158.26 43.87 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.328 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 31' ' ' VAL . 8.6 p30 -102.77 147.21 27.14 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.08 0.467 . . . . 0.0 110.992 -174.635 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -116.55 147.68 41.59 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.575 0.703 . . . . 0.0 110.213 174.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 55.7 t -97.61 131.21 45.04 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.25 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.155 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.18 -23.11 6.89 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.308 -177.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -153.1 145.23 23.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.873 0.368 . . . . 0.0 110.944 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.6 mt -101.25 131.96 47.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.813 177.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -118.4 122.22 42.26 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.687 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -89.76 139.82 30.19 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.871 176.041 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.458 ' HB3' ' HG2' ' A' ' 22' ' ' GLU . . . -64.91 105.07 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.015 0.436 . . . . 0.0 110.928 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.9 t -158.88 178.38 10.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.296 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -84.7 164.95 18.28 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.014 0.435 . . . . 0.0 110.907 -176.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -148.93 -67.09 0.22 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.639 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.766 ' HG3' HD12 ' A' ' 59' ' ' LEU . 39.9 ttm180 62.81 87.36 0.1 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.283 0.564 . . . . 0.0 110.498 -177.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.8 m -84.37 127.37 33.95 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.291 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.31 103.05 13.48 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -178.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -152.34 103.26 2.83 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.786 177.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -57.96 99.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.877 -178.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.787 HG22 ' H ' ' A' ' 55' ' ' ARG . 1.8 m -137.31 -168.25 2.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.739 -177.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.787 ' H ' HG22 ' A' ' 54' ' ' THR . 21.6 tpt180 -57.65 103.51 0.14 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.663 0.385 . . . . 0.0 111.564 178.136 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 63.88 149.54 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.349 1.06 . . . . 0.0 111.584 -177.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -92.41 114.87 27.53 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.298 0.571 . . . . 0.0 110.665 177.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -133.03 86.97 2.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.744 0.783 . . . . 0.0 109.633 174.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.766 HD12 ' HG3' ' A' ' 49' ' ' ARG . 2.1 pt? -116.96 11.87 14.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.079 -172.609 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 16.3 m -73.98 100.22 3.49 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.699 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.66 88.53 5.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -113.93 94.05 4.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.99 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 44.77 -87.23 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.406 1.082 . . . . 0.0 113.546 175.219 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -62.37 -43.44 98.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.135 -178.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.83 -35.75 81.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.434 179.248 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.96 -36.89 80.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.916 0.388 . . . . 0.0 110.773 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.22 -41.35 77.14 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 173.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -55.61 -48.87 74.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.485 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.443 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -59.71 -53.55 56.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.052 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.42 -32.62 74.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.824 0.345 . . . . 0.0 111.199 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.538 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -65.51 -51.43 60.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.842 178.686 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -65.71 -31.64 72.76 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 122.957 0.161 . . . . 0.0 110.864 -178.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 38.9 mt-10 -57.83 -43.63 85.92 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.071 0.462 . . . . 0.0 111.062 172.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -87.98 -9.45 53.49 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.784 -177.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.61 28.09 52.56 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.777 -177.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 64.7 mt -120.83 179.26 4.41 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -177.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -141.34 -179.87 6.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.786 0.327 . . . . 0.0 110.173 173.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.0 t -81.84 106.84 13.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.283 -178.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.1 m -93.45 -23.18 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.041 0.448 . . . . 0.0 111.121 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -165.59 177.28 40.9 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.13 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.2 t -135.54 156.66 38.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.427 ' HB3' ' HB ' ' A' ' 108' ' ' VAL . 53.8 p90 -140.06 139.15 35.85 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.257 0.551 . . . . 0.0 111.261 179.241 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -147.49 131.61 17.33 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.142 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.499 ' HB3' HG13 ' A' ' 110' ' ' VAL . 24.3 p -106.39 149.71 26.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.63 -173.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -162.11 143.82 8.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.291 173.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.511 ' HB3' ' O ' ' A' ' 112' ' ' VAL . 94.6 Cg_endo -92.18 69.65 0.8 Allowed 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 123.516 2.811 . . . . 0.0 113.37 -175.194 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 6.6 p-10 -160.84 154.72 22.56 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 177.134 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 87' ' ' ASP . 72.8 m80 66.56 157.28 0.13 Allowed Pre-proline 0 N--CA 1.468 0.461 0 O-C-N 123.898 0.749 . . . . 0.0 110.94 -174.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -73.17 74.09 3.09 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.593 2.195 . . . . 0.0 111.823 176.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 44.83 72.51 0.2 Allowed 'General case' 0 N--CA 1.465 0.301 0 O-C-N 124.1 0.875 . . . . 0.0 111.887 -179.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.533 ' HB2' ' HD2' ' A' ' 92' ' ' PRO . 19.3 ptp180 -162.88 161.76 18.82 Favored Pre-proline 0 N--CA 1.451 -0.415 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.179 -178.405 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.533 ' HD2' ' HB2' ' A' ' 91' ' ' ARG . 44.8 Cg_endo -69.17 146.37 63.62 Favored 'Trans proline' 0 C--O 1.238 0.5 0 C-N-CA 122.492 2.128 . . . . 0.0 112.932 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.0 m -97.48 -168.85 1.75 Allowed 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.06 173.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -65.26 -47.35 77.01 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.911 -0.315 . . . . 0.0 110.546 -179.322 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.3 m -60.96 -38.76 87.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.428 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -56.32 -45.29 80.38 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.295 0.569 . . . . 0.0 109.976 177.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.3 tt -70.49 -43.56 69.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.645 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 54.3 mt-10 -64.31 -26.29 68.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.104 -174.142 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -95.26 4.39 53.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.757 0.313 . . . . 0.0 111.373 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -92.71 68.41 4.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.414 0.626 . . . . 0.0 110.55 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.75 4.88 53.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.072 -178.723 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -126.92 85.66 60.51 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.518 -175.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.69 161.16 47.04 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.613 2.208 . . . . 0.0 111.994 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.88 -19.64 52.46 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.728 -177.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -90.64 154.2 19.75 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 176.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 90.5 m -91.84 124.5 36.01 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.428 ' CE2' ' HB2' ' A' ' 125' ' ' LEU . 47.6 m-85 -97.97 108.93 21.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.987 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.427 ' HB ' ' HB3' ' A' ' 82' ' ' TYR . 61.6 t -101.44 120.77 51.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.083 0.468 . . . . 0.0 109.985 177.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.2 mt -119.45 125.71 74.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.741 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.793 ' HB ' HD23 ' A' ' 120' ' ' LEU . 4.1 p -118.55 131.17 72.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-O 121.138 0.494 . . . . 0.0 109.757 178.661 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.5 t -82.17 105.98 13.7 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.511 ' O ' ' HB3' ' A' ' 86' ' ' PRO . 60.5 t -110.58 114.8 48.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -95.62 59.31 2.09 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.445 0.641 . . . . 0.0 109.758 -173.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.3 t70 58.69 81.96 0.15 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 114.325 -1.307 . . . . 0.0 111.103 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.454 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 87.84 -22.59 17.07 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.618 179.034 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -107.52 100.95 37.05 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-O 120.735 0.303 . . . . 0.0 111.624 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.454 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 3.4 Cg_exo -75.53 115.53 4.24 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.84 2.36 . . . . 0.0 111.135 176.117 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -83.8 -72.5 0.46 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.214 -175.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -139.94 151.37 45.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.076 0.465 . . . . 0.0 111.773 -175.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.793 HD23 ' HB ' ' A' ' 110' ' ' VAL . 37.9 mt -101.56 129.73 47.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.939 175.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 20.9 p -131.55 131.68 43.54 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.763 0.316 . . . . 0.0 110.883 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.45 133.58 52.9 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 176.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.52 ' CZ3' ' HB2' ' A' ' 134' ' ' ARG . 61.2 m95 -126.79 139.88 52.78 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.339 -172.052 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -106.62 132.38 52.69 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.504 174.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.547 HD11 ' HA ' ' A' ' 129' ' ' ARG . 59.0 tp -80.68 137.56 36.32 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.437 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -67.57 150.16 97.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.801 174.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -52.25 -32.74 51.99 Favored 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 123.044 2.496 . . . . 0.0 113.7 -175.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.51 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 27.9 t70 -98.3 14.23 28.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.659 0.266 . . . . 0.0 110.919 -176.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.547 ' HA ' HD11 ' A' ' 125' ' ' LEU . 6.7 ptp180 51.24 29.41 4.9 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.439 1.096 . . . . 0.0 112.656 174.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.7 p -94.81 -26.61 16.15 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -178.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -153.84 169.18 24.03 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.044 0.45 . . . . 0.0 111.344 178.015 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -113.47 152.08 30.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.607 177.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -126.5 136.36 52.5 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 169.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.52 ' HB2' ' CZ3' ' A' ' 123' ' ' TRP . 9.9 ttt180 -75.57 146.08 40.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.24 0.543 . . . . 0.0 111.97 -172.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -128.74 154.76 46.03 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 176.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -98.39 148.17 23.96 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.964 0.411 . . . . 0.0 110.45 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.651 HG21 HD21 ' A' ' 8' ' ' LEU . 3.8 mp -84.25 128.71 38.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.925 -178.148 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.408 HG23 ' HG3' ' A' ' 2' ' ' LYS . 15.6 m -109.31 144.79 16.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.735 179.374 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 139' ' ' ARG . 4.4 mpt_? -83.37 133.39 47.46 Favored Pre-proline 0 N--CA 1.446 -0.653 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 176.188 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.02 158.39 47.92 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.475 2.117 . . . . 0.0 112.175 -175.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -54.35 131.72 61.97 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.243 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -74.01 41.88 0.69 Allowed 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.335 2.69 . . . . 0.0 113.946 -171.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -122.35 -25.56 4.79 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.041 175.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -85.13 148.66 50.9 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.277 -177.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.49 142.24 95.27 Favored 'Trans proline' 0 C--O 1.239 0.557 0 C-N-CA 122.803 2.335 . . . . 0.0 112.05 175.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 63.4 mt -70.34 -74.33 0.14 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.316 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -98.43 153.03 18.88 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 175.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 73.33 118.07 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.51 0.672 . . . . 0.0 112.185 178.299 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -85.85 -10.72 54.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.65 176.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -115.33 145.1 42.82 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 176.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -87.25 14.13 8.39 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -172.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 31.9 p80 -138.96 161.94 36.1 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 174.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 12.3 p80 . . . . . 0 C--O 1.244 0.804 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.338 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.429 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -96.97 118.77 34.12 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.893 0.378 . . . . 0.0 111.125 -177.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.442 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 10.9 t -160.15 173.16 16.2 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 175.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.466 ' OG1' HG12 ' A' ' 7' ' ' ILE . 37.7 p -94.1 148.18 34.71 Favored Pre-proline 0 C--N 1.321 -0.665 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.698 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.71 -25.84 80.35 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.97 2.446 . . . . 0.0 111.694 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.429 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 33.0 t70 -61.93 -42.5 99.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.481 176.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.549 ' O ' HG13 ' A' ' 11' ' ' ILE . 44.6 mm -61.86 -44.22 98.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.146 176.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.58 HD11 HG21 ' A' ' 137' ' ' ILE . 83.3 mt -56.29 -44.1 79.5 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.008 178.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -65.37 -43.85 89.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.305 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 48.0 mt-30 -61.38 -36.16 79.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.119 178.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.549 HG13 ' O ' ' A' ' 7' ' ' ILE . 80.1 mt -59.17 -45.43 92.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.751 0.31 . . . . 0.0 110.236 175.527 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.02 -49.17 78.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.764 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 65.3 t -63.34 -48.5 87.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 -178.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.539 ' HB3' ' HD3' ' A' ' 44' ' ' ARG . 18.7 m-70 -66.65 -27.83 67.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.345 -179.575 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.2 -43.16 81.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.876 176.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.04 -28.35 63.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.19 0.519 . . . . 0.0 110.237 176.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -65.55 -38.56 89.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.632 175.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.82 -42.0 91.13 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.992 -1.003 . . . . 0.0 111.108 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -63.96 151.54 89.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.741 178.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -78.93 -3.88 36.28 Favored 'Cis proline' 0 C--O 1.234 0.312 0 C-N-CA 124.071 -1.22 . . . . 0.0 113.309 2.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -68.96 -176.86 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.089 0.471 . . . . 0.0 111.142 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -81.33 143.68 32.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.331 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -122.64 -110.37 2.03 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.358 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.3 p 50.43 -173.51 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.302 1.041 . . . . 0.0 112.562 -177.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 145.65 -166.81 27.73 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.023 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -111.44 157.08 20.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.961 0.41 . . . . 0.0 111.384 -176.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.0 mt -99.66 128.83 45.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.088 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.539 HD22 ' HB2' ' A' ' 71' ' ' ALA . 84.1 mt -104.47 138.42 40.88 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.02 0.438 . . . . 0.0 110.609 -177.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.65 -149.89 8.45 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.507 ' HA ' ' OD1' ' A' ' 77' ' ' ASP . 0.7 OUTLIER -137.52 145.31 42.8 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 117.261 0.531 . . . . 0.0 111.464 175.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.5 t -90.8 124.02 43.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.318 176.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.9 p -72.87 173.84 8.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.109 0.48 . . . . 0.0 111.278 -174.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -84.88 -6.77 59.35 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.312 -176.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -100.59 -29.46 12.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.557 179.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.62 -2.35 4.51 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 119.999 -1.096 . . . . 0.0 112.958 178.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -78.32 154.57 30.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.001 0.429 . . . . 0.0 110.914 176.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.523 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 84.6 m-20 -115.48 123.77 49.4 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.135 -0.938 . . . . 0.0 108.851 176.128 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -115.76 139.6 50.01 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.717 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.8 t -105.67 123.12 59.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.403 -175.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.27 -25.11 7.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.804 -177.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.498 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -144.02 163.46 33.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.807 0.336 . . . . 0.0 111.384 -176.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.1 mt -123.07 152.18 41.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.12 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -134.62 121.93 21.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.743 0.306 . . . . 0.0 110.289 176.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.539 ' HD3' ' HB3' ' A' ' 14' ' ' HIS . 76.1 mtm180 -109.07 132.12 54.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.714 176.01 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.92 103.76 0.62 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.225 0.536 . . . . 0.0 110.712 177.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.9 m -126.98 129.79 48.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.167 -175.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -164.03 152.67 13.38 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 174.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -139.56 75.65 1.52 Allowed 'General case' 0 C--N 1.32 -0.679 0 O-C-N 123.15 0.281 . . . . 0.0 110.337 176.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 49' ' ' ARG . 23.6 ttm180 59.18 28.37 17.65 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.543 0.687 . . . . 0.0 109.229 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.7 m -67.45 129.57 40.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.743 -171.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 69.62 158.72 0.17 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.497 177.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -101.89 104.17 14.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.264 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.54 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 4.5 tmt_? -79.88 76.91 6.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.661 0.743 . . . . 0.0 109.372 177.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.2 m -91.35 42.75 1.11 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.143 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.53 ' HD2' ' O ' ' A' ' 55' ' ' ARG . 1.5 tmm_? 61.93 31.8 18.03 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.859 0.838 . . . . 0.0 109.435 -174.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -103.39 162.85 12.67 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.296 176.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 27.1 p90 51.68 166.24 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.773 0 O-C-N 124.753 1.283 . . . . 0.0 113.783 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -116.11 -1.93 12.34 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.596 176.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.1 tt -79.14 85.95 4.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.641 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.4 p -100.08 -77.27 0.53 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.446 ' CB ' ' HB2' ' A' ' 65' ' ' ARG . . . 69.15 159.41 0.18 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.906 0.86 . . . . 0.0 112.68 175.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.85 -74.59 0.54 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.068 170.643 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.401 ' H ' ' H ' ' A' ' 64' ' ' TYR . 25.9 t70 -149.81 -28.86 0.24 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.686 170.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.401 ' H ' ' H ' ' A' ' 63' ' ' ASP . 94.2 t80 -56.27 -51.57 67.65 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.261 -177.065 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.446 ' HB2' ' CB ' ' A' ' 61' ' ' ALA . 46.1 mtp85 -61.25 -36.89 81.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.561 0.22 . . . . 0.0 111.493 -177.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.86 -44.13 73.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.739 0.304 . . . . 0.0 110.709 178.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.441 ' HB1' HD21 ' A' ' 28' ' ' LEU . . . -64.5 -39.53 93.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.208 176.365 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -61.76 -45.86 92.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.605 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.545 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -61.68 -53.31 57.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.625 178.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.91 -32.37 71.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.975 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.539 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -64.27 -51.68 62.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.184 176.54 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -36.6 78.56 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 123.234 0.334 . . . . 0.0 110.657 179.197 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 99.3 mt-10 -59.75 -39.33 84.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.22 176.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -93.17 -3.64 53.55 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.049 -178.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.59 23.13 60.8 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.462 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.0 mt -114.24 175.4 5.49 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 122.613 0.365 . . . . 0.0 110.025 -179.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.507 ' OD1' ' HA ' ' A' ' 30' ' ' THR . 5.1 p-10 -137.78 -175.07 3.96 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 174.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.7 t -98.05 107.99 21.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.796 0.332 . . . . 0.0 110.278 -178.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.523 ' HB ' ' HB3' ' A' ' 37' ' ' ASN . 29.6 m -93.41 -13.45 8.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.757 -176.281 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.415 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -178.79 -174.64 45.18 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 120.03 -1.081 . . . . 0.0 112.722 -179.332 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.1 t -136.8 154.78 32.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.51 ' OH ' ' HG2' ' A' ' 44' ' ' ARG . 18.6 p90 -127.28 136.29 51.76 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.066 176.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.406 ' HB2' HG12 ' A' ' 109' ' ' ILE . 57.8 m170 -110.88 143.56 41.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.701 -176.488 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.4 m -105.73 126.58 52.32 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -117.72 154.2 50.91 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.623 -179.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -74.78 -161.78 0.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 123.245 2.63 . . . . 0.0 110.758 170.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -49.14 -33.06 11.23 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 176.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -53.35 151.32 10.2 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.941 178.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -37.39 145.33 0.12 Allowed 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 124.867 3.712 . . . . 0.0 115.557 -174.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.11 7.04 29.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.526 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.91 148.1 34.17 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.248 175.439 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.45 122.97 12.56 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.843 2.362 . . . . 0.0 112.713 -177.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.3 t -88.69 -174.91 4.73 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.509 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -57.75 -48.8 78.61 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -173.385 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.2 m -74.98 -33.65 61.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.113 0.482 . . . . 0.0 110.682 -177.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -62.94 -40.4 97.53 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.729 ' HG ' ' HE1' ' A' ' 132' ' ' PHE . 7.6 tt -69.24 -37.55 78.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.382 177.193 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 37.9 mt-10 -60.63 -32.69 71.84 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -177.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -87.67 -6.73 58.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.802 0.334 . . . . 0.0 111.577 -178.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.0 76.77 10.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.5 0.667 . . . . 0.0 109.717 175.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.438 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 6.2 t -98.6 -13.41 20.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.036 -175.173 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -116.48 86.54 18.4 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.892 -176.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' A' ' 101' ' ' THR . 18.8 Cg_exo -65.3 172.83 7.06 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.951 2.434 . . . . 0.0 112.466 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 95.66 -35.18 4.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 111.576 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.415 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 35.8 m-85 -75.57 149.23 38.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.793 0.33 . . . . 0.0 110.117 175.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.7 m -92.04 123.34 35.33 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 177.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -100.55 115.43 30.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.931 0.396 . . . . 0.0 110.852 -177.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.469 ' O ' ' HA ' ' A' ' 82' ' ' TYR . 58.7 t -104.58 126.38 59.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.191 176.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.406 HG12 ' HB2' ' A' ' 83' ' ' HIS . 54.4 mt -122.78 131.42 73.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 120.741 0.305 . . . . 0.0 110.227 -178.097 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.0 p -127.15 128.28 70.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.32 0.581 . . . . 0.0 111.099 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.4 m -87.89 111.88 21.92 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.523 175.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.501 ' HA ' ' HA ' ' A' ' 117' ' ' PRO . 40.8 t -107.27 115.65 49.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.631 179.406 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -94.0 92.08 7.18 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.03 -177.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.5 t70 54.14 49.0 19.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.98 177.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 91.94 0.61 71.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.832 177.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -117.22 99.51 52.75 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.802 0.334 . . . . 0.0 110.944 177.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.501 ' HA ' ' HA ' ' A' ' 112' ' ' VAL . 14.1 Cg_exo -69.45 117.02 4.81 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.892 2.394 . . . . 0.0 111.318 178.386 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -100.64 -69.96 0.75 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.921 -177.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -102.23 121.92 43.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.895 -176.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.6 tt -120.45 121.35 38.31 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 175.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.0 m -136.67 157.04 47.7 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.913 0.387 . . . . 0.0 110.974 -175.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -122.3 139.02 54.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.192 0.52 . . . . 0.0 109.943 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -132.02 145.16 51.27 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.483 -172.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -108.75 132.35 54.05 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.654 173.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 67.2 tp -88.22 130.31 35.11 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.95 144.8 90.06 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.875 176.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.92 -30.06 84.45 Favored 'Trans proline' 0 N--CA 1.473 0.28 0 C-N-CA 122.79 2.327 . . . . 0.0 112.584 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -88.44 0.7 55.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.463 -179.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 57.14 29.94 17.46 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.404 -176.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 25.8 t -68.19 -46.17 71.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.978 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -165.21 -177.52 4.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.895 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.729 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 63.5 m-85 -106.59 146.3 30.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.838 176.043 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -124.11 136.72 54.42 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 174.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -57.36 138.68 54.63 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.12 -178.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -127.44 148.95 50.3 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 174.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -96.62 146.22 25.04 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.757 -177.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.58 HG21 HD11 ' A' ' 8' ' ' LEU . 4.1 mp -85.32 114.93 26.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 175.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 10.4 m -110.91 150.53 13.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.598 -178.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 46.9 mtt180 -84.38 152.39 60.89 Favored Pre-proline 0 C--N 1.315 -0.892 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.529 -177.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 3' ' ' THR . 45.7 Cg_exo -55.52 102.84 0.1 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.353 2.035 . . . . 0.0 112.567 178.292 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -111.92 87.51 8.71 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.525 174.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -87.4 22.94 0.85 Allowed 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 122.631 2.221 . . . . 0.0 112.711 -175.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -133.71 1.65 3.37 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.781 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -81.06 146.18 58.32 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.727 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -65.58 144.38 78.61 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.684 2.256 . . . . 0.0 112.63 178.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.588 ' H ' HD23 ' A' ' 146' ' ' LEU . 2.6 pt? -88.61 151.71 22.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.761 -178.222 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.487 ' OE1' ' HB2' ' A' ' 149' ' ' HIS . 0.4 OUTLIER -87.0 133.05 33.62 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 179.57 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -130.96 15.0 5.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.126 0.489 . . . . 0.0 111.173 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' HIS . . . . . 0.487 ' HB2' ' OE1' ' A' ' 147' ' ' GLU . 52.3 m80 -83.37 139.67 32.87 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 121.724 -0.61 . . . . 0.0 109.866 175.341 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -139.23 136.96 35.53 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.93 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 29.1 p-80 -86.93 97.55 10.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.754 0.788 . . . . 0.0 111.087 -174.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -122.07 117.85 27.3 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.985 178.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 74.3 t60 . . . . . 0 C--O 1.245 0.84 0 CA-C-O 118.532 -0.747 . . . . 0.0 109.654 179.444 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.427 ' HB2' HG21 ' A' ' 106' ' ' THR . 22.4 ttt . . . . . 0 N--CA 1.476 0.843 0 CA-C-O 121.171 0.51 . . . . 0.0 111.265 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -90.24 137.21 32.53 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 170.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.49 HG21 HD21 ' A' ' 8' ' ' LEU . 8.9 t -154.73 149.32 26.39 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 120.87 0.367 . . . . 0.0 110.67 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.7 p -99.27 153.14 37.93 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.517 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.55 -35.09 65.55 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 123.378 2.718 . . . . 0.0 112.983 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 5.1 p-10 -65.04 -38.33 90.52 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.098 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.559 ' O ' HG13 ' A' ' 11' ' ' ILE . 40.4 mm -70.13 -44.61 77.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.746 0.308 . . . . 0.0 110.296 178.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.49 HD21 HG21 ' A' ' 3' ' ' THR . 88.2 mt -54.76 -43.26 72.58 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.588 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.642 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 24.1 t70 -68.47 -42.89 78.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.104 0.478 . . . . 0.0 110.39 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 50.3 mt-30 -59.93 -30.31 68.97 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.268 177.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' ' 7' ' ' ILE . 76.4 mt -65.01 -50.48 74.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.458 0.171 . . . . 0.0 110.648 176.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.642 ' HG2' ' O ' ' A' ' 9' ' ' ASP . 4.8 ptm180 -65.61 -35.07 79.73 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 120.625 0.25 . . . . 0.0 110.792 -179.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 9' ' ' ASP . 93.6 t -65.28 -38.98 83.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 120.768 0.318 . . . . 0.0 110.554 176.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -65.22 -28.83 69.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.036 177.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.16 -40.7 96.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.344 174.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.52 -26.41 60.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.886 0.375 . . . . 0.0 110.48 176.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -74.16 -38.9 63.56 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.684 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.88 -44.66 72.81 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.938 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -69.03 149.77 97.71 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.22 -178.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -79.79 -2.52 39.13 Favored 'Cis proline' 0 C--N 1.345 0.365 0 C-N-CA 124.077 -1.218 . . . . 0.0 113.812 5.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -65.79 164.14 15.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.218 0.532 . . . . 0.0 111.342 -177.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -93.41 97.94 10.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.735 -177.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -151.18 142.4 9.48 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.697 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.2 p -102.48 -164.59 1.1 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 175.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.589 ' HA3' ' CZ ' ' A' ' 82' ' ' TYR . . . -141.99 150.02 21.67 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.208 -0.996 . . . . 0.0 112.214 178.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -109.7 148.16 31.87 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.833 0.349 . . . . 0.0 110.159 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.6 mt -103.88 113.96 27.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.04 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.512 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 66.7 mt -107.46 132.94 52.66 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 178.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.554 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . -169.02 -160.08 16.26 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 119.304 -1.427 . . . . 0.0 114.069 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.5 p -117.28 160.09 21.65 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.193 -0.503 . . . . 0.0 110.792 -176.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.4 t -90.81 115.35 29.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.0 p -69.33 162.92 26.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.476 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -63.4 -19.18 64.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.303 -176.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -75.31 -17.76 60.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.12 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.28 -2.06 59.23 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.485 -173.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -92.68 169.01 10.83 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -102.27 143.5 31.97 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.057 -0.402 . . . . 0.0 111.734 -176.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.554 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 66.8 ttt180 -115.6 127.59 55.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.863 170.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 55.1 t -81.93 121.68 35.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.02 -22.58 6.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.163 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.512 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -133.8 148.61 51.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.432 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.0 mt -127.0 142.1 51.63 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.806 -177.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -150.37 122.65 8.38 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.943 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.466 ' HA ' ' HA2' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -91.53 139.65 30.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.525 -178.276 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 CA-C-O 121.351 0.596 . . . . 0.0 110.949 -179.803 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.7 t70 . . . . . 0 C--O 1.233 0.209 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -53.02 -46.1 68.24 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -64.33 -40.69 96.4 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-O 120.907 0.384 . . . . 0.0 111.243 -178.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.92 -38.41 90.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.613 176.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.19 -34.81 75.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.382 176.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.64 -46.3 90.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.363 176.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.52 -45.52 86.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.884 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.44 -33.34 74.61 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.801 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.46 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -61.65 -49.4 76.69 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.135 175.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -62.78 -36.45 83.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.005 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -58.93 -34.66 71.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.242 0.544 . . . . 0.0 111.565 175.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -92.49 -4.12 54.1 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.548 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.48 28.38 59.74 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.448 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.9 mt -125.64 -173.19 2.77 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.441 ' HA ' ' HB1' ' A' ' 71' ' ' ALA . 3.4 p-10 -147.78 176.27 10.26 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 169.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.4 t -80.83 105.57 10.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.267 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.4 m -95.3 -10.28 9.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.307 -176.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.471 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -174.14 176.64 46.55 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.434 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 107' ' ' TYR . 4.0 t -139.39 156.64 27.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.589 ' CZ ' ' HA3' ' A' ' 25' ' ' GLY . 35.7 p90 -144.57 147.85 33.67 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.002 0.43 . . . . 0.0 110.711 177.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -147.29 142.47 27.2 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.403 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.1 m -106.11 141.5 37.38 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.016 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.478 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 0.9 OUTLIER -144.16 143.53 22.8 Favored Pre-proline 0 C--N 1.321 -0.635 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.866 174.311 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 2.1 Cg_endo -83.43 63.14 7.48 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 123.087 2.525 . . . . 0.0 111.589 178.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -167.21 121.13 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.387 -0.824 . . . . 0.0 108.965 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 51.7 m80 66.25 141.87 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 O-C-N 124.055 0.847 . . . . 0.0 110.234 -168.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.566 ' O ' ' HB2' ' A' ' 111' ' ' SER . 37.5 Cg_exo -58.94 -56.07 1.62 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.63 2.22 . . . . 0.0 112.994 -178.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.475 ' HB1' ' OG1' ' A' ' 121' ' ' THR . . . -165.32 83.17 0.35 Allowed 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.414 -0.514 . . . . 0.0 112.242 -176.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.401 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 6.6 ppt_? -167.77 148.12 4.6 Favored Pre-proline 0 N--CA 1.45 -0.449 0 CA-C-N 115.419 -0.81 . . . . 0.0 108.972 170.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 91' ' ' ARG . 24.9 Cg_exo -63.67 149.84 89.89 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.827 2.351 . . . . 0.0 112.586 -178.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.2 t -97.25 -170.49 2.03 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.07 -49.46 36.28 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.693 -175.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.58 ' O ' ' HG2' ' A' ' 99' ' ' GLU . 15.7 m -67.05 -49.21 65.92 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -174.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -67.58 -30.0 69.5 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.849 -177.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.576 ' HG ' ' CE1' ' A' ' 132' ' ' PHE . 7.6 tt -64.12 -43.0 96.62 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.484 0.659 . . . . 0.0 109.25 171.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -68.6 -32.77 72.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.755 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' A' ' 95' ' ' THR . 7.9 mm-40 -82.5 1.02 39.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.304 -178.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.72 94.28 3.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.16 0.505 . . . . 0.0 110.644 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.615 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 11.1 m -83.25 -18.12 40.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.805 -176.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.412 ' HB3' ' CD1' ' A' ' 105' ' ' PHE . 81.7 m-85 -110.12 88.48 7.11 Favored Pre-proline 0 C--N 1.327 -0.373 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -173.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.615 ' HD3' ' O ' ' A' ' 101' ' ' THR . 13.2 Cg_exo -70.62 -0.69 8.02 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.958 2.439 . . . . 0.0 112.714 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -105.53 5.97 41.3 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.246 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.471 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 2.6 m-85 -104.93 153.24 21.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.808 0.337 . . . . 0.0 110.444 -179.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.427 HG21 ' HB2' ' A' ' 1' ' ' MET . 41.4 m -92.71 123.0 35.67 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.455 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 65.4 m-85 -101.23 117.12 34.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.465 -177.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.585 ' HB ' ' HB3' ' A' ' 82' ' ' TYR . 64.2 t -96.32 126.25 49.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-O 121.292 0.568 . . . . 0.0 110.345 178.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.3 mm -109.67 123.76 65.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 176.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.475 ' CG2' ' HG ' ' A' ' 120' ' ' LEU . 2.4 p -128.9 137.66 56.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 121.284 0.564 . . . . 0.0 110.538 -174.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.566 ' HB2' ' O ' ' A' ' 89' ' ' PRO . 34.6 t -80.53 106.8 12.81 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.595 -178.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 116' ' ' ALA . 69.1 t -125.8 114.43 39.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 172.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 49.2 ttp85 -107.01 92.9 4.27 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.165 -176.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 33.7 t70 60.43 29.92 19.38 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.085 176.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 119.1 -19.11 10.19 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.911 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . . . -91.1 110.77 44.58 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.668 0.234 . . . . 0.0 111.314 -179.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.426 ' HB2' ' HB2' ' A' ' 12' ' ' ARG . 1.7 Cg_endo -83.89 115.24 2.05 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 123.348 2.699 . . . . 0.0 112.003 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.538 ' HB3' ' HB3' ' A' ' 111' ' ' SER . 43.2 tt0 -95.71 -74.26 0.56 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.721 -174.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.429 ' H ' ' HB3' ' A' ' 111' ' ' SER . . . -137.8 155.37 49.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.614 0.245 . . . . 0.0 111.273 -175.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.475 ' HG ' ' CG2' ' A' ' 110' ' ' VAL . 5.0 mp -119.25 144.17 46.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.719 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.475 ' OG1' ' HB1' ' A' ' 90' ' ' ALA . 28.7 p -138.41 143.31 39.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.702 -0.227 . . . . 0.0 110.512 176.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.75 134.35 52.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.862 0.363 . . . . 0.0 110.387 178.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -129.01 143.5 50.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.946 -175.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -108.92 129.06 55.42 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.7 176.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.524 HD23 ' HA ' ' A' ' 103' ' ' PRO . 55.2 tp -81.12 134.53 35.66 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.7 142.27 94.64 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.325 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -59.88 -26.37 82.1 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.909 2.406 . . . . 0.0 112.601 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -86.51 -11.13 52.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.306 176.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 129' ' ' ARG . 12.4 ttp180 55.59 71.76 0.53 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.87 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 70.6 m -118.14 -32.81 4.6 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.114 172.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.544 ' HA ' HD11 ' A' ' 97' ' ' LEU . 11.4 pt-20 -162.59 -178.89 6.51 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.567 -179.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.576 ' CE1' ' HG ' ' A' ' 97' ' ' LEU . 46.5 m-85 -106.39 154.04 21.38 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.078 178.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -124.27 145.88 49.11 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 175.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 10.8 tpt85 -82.23 133.62 35.26 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 121.257 0.551 . . . . 0.0 110.88 -173.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -117.51 149.55 40.42 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 175.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -86.4 154.53 21.11 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -176.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 47.7 mm -82.92 112.76 21.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 16.5 m -116.99 134.36 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.798 0 CA-C-O 121.65 0.738 . . . . 0.0 111.333 -176.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 67.8 mtm180 -83.55 145.63 48.31 Favored Pre-proline 0 C--N 1.313 -1.0 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.467 174.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -58.27 144.25 96.04 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.062 1.841 . . . . 0.0 111.102 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.144 179.797 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ttt . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.878 0.371 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -108.18 126.04 52.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.232 174.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.481 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 14.0 t -157.26 169.52 24.58 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.477 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 78.3 p -104.0 152.52 39.09 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.012 -176.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.36 -28.54 86.99 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.78 2.32 . . . . 0.0 111.808 176.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.4 -49.42 76.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.755 177.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.541 HG23 HD11 ' A' ' 42' ' ' LEU . 35.9 mm -63.66 -42.91 97.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.336 178.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.1 mt -58.28 -44.97 88.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.325 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.675 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 8.7 t70 -66.5 -38.86 88.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.13 0.49 . . . . 0.0 110.226 -178.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -60.4 -37.77 81.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.277 175.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 7' ' ' ILE . 83.0 mt -63.85 -49.08 83.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.304 178.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.675 ' HG2' ' O ' ' A' ' 9' ' ' ASP . 4.9 ptm180 -62.33 -32.68 73.48 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.548 0.213 . . . . 0.0 111.116 -177.012 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 9' ' ' ASP . 97.6 t -67.83 -34.16 65.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.684 0.278 . . . . 0.0 110.686 178.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -63.36 -28.7 70.17 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.005 -177.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.549 ' HA3' HG21 ' A' ' 112' ' ' VAL . . . -65.71 -45.92 86.35 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.177 178.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.97 -30.62 62.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.296 0.57 . . . . 0.0 110.607 178.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -58.59 -38.58 78.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.52 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.44 20.08 11.93 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.707 -175.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.504 ' CE2' ' HA ' ' A' ' 114' ' ' ASP . 16.6 t80 -41.84 129.79 2.49 Favored Pre-proline 0 N--CA 1.476 0.847 0 C-N-CA 122.922 0.489 . . . . 0.0 112.003 -177.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 19' ' ' TYR . 72.1 Cg_endo -79.96 -21.24 18.05 Favored 'Cis proline' 0 C--N 1.347 0.478 0 C-N-CA 123.026 -1.656 . . . . 0.0 112.093 -0.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 178.31 134.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.37 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -118.59 2.23 11.73 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 172.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.548 ' HA3' ' O ' ' A' ' 45' ' ' ALA . . . 147.48 153.11 5.83 Favored Glycine 0 N--CA 1.437 -1.243 0 CA-C-N 113.924 -1.489 . . . . 0.0 110.583 -175.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.527 ' HB3' ' O ' ' A' ' 82' ' ' TYR . 82.1 m -93.23 -164.39 1.17 Allowed 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.507 ' HA3' ' CZ ' ' A' ' 82' ' ' TYR . . . -137.7 155.05 22.91 Favored Glycine 0 N--CA 1.441 -1.03 0 C-N-CA 120.039 -1.077 . . . . 0.0 111.969 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -107.81 148.23 29.81 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.975 -0.379 . . . . 0.0 109.975 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.3 mt -93.99 115.17 27.49 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.479 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.614 HD22 ' HB2' ' A' ' 71' ' ' ALA . 59.4 mt -103.76 132.62 49.85 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -178.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 178.24 -151.1 10.27 Favored Glycine 0 N--CA 1.441 -1.021 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.485 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 0.9 OUTLIER -136.8 158.42 44.48 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 120.879 0.371 . . . . 0.0 111.08 179.588 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.9 t -89.6 124.43 42.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 51.1 p -70.34 164.95 23.41 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.981 -176.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.94 -21.19 66.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.735 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -71.38 -34.27 70.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.332 176.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.22 -3.8 20.36 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.615 -176.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -88.19 153.53 21.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.888 0.375 . . . . 0.0 110.444 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.441 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 78.7 m-20 -94.33 128.71 40.99 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.675 -175.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 30' ' ' THR . 33.4 ptt180 -114.8 143.24 45.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.288 0.565 . . . . 0.0 110.032 176.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.1 t -110.23 121.64 63.42 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.347 -174.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -115.05 -19.2 10.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.603 -178.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.504 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -148.49 166.73 27.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.932 0.396 . . . . 0.0 111.387 -177.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.541 HD11 HG23 ' A' ' 7' ' ' ILE . 97.6 mt -131.92 143.58 50.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.254 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.513 ' HB2' HD11 ' A' ' 28' ' ' LEU . 21.1 t60 -130.86 135.33 47.61 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 174.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 44' ' ' ARG . 21.3 ttt180 -86.84 135.91 33.16 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.594 -178.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.548 ' O ' ' HA3' ' A' ' 23' ' ' GLY . . . . . . . . 0 C--N 1.321 -0.635 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 173.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 C--O 1.236 0.357 0 CA-C-O 121.104 0.478 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -57.26 -40.76 78.34 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.937 177.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.457 ' HD2' ' HA ' ' A' ' 65' ' ' ARG . 18.9 mmm180 -60.57 -36.96 79.76 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 120.649 0.262 . . . . 0.0 111.275 -179.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.42 -38.31 71.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.87 0.367 . . . . 0.0 110.587 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.94 -42.47 89.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.384 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.75 -41.68 87.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.031 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.629 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -60.64 -52.08 66.65 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.395 176.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.72 -33.56 75.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.765 0.317 . . . . 0.0 111.195 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.614 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -63.98 -52.35 60.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.635 178.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -66.21 -31.92 73.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.803 -0.181 . . . . 0.0 110.771 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.629 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 37.9 mt-10 -58.08 -40.23 80.54 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.203 0.525 . . . . 0.0 110.648 174.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -88.0 -2.14 58.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.702 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.78 18.71 62.98 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.658 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.1 mt -116.39 -173.81 2.44 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 -177.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -148.55 173.9 12.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.702 172.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.2 t -84.04 111.36 19.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.951 0.405 . . . . 0.0 110.29 -176.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.441 ' HB ' ' HB3' ' A' ' 37' ' ' ASN . 27.6 m -100.39 -1.76 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.5 -177.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.43 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . 173.86 -176.15 46.38 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.019 -1.086 . . . . 0.0 113.015 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 107' ' ' TYR . 4.0 t -140.73 158.29 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.556 ' HB3' ' HB ' ' A' ' 108' ' ' VAL . 42.4 p90 -132.65 137.94 47.16 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.084 175.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.404 ' HD2' ' SG ' ' A' ' 24' ' ' CYS . 40.8 m80 -112.92 149.66 32.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.323 -178.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.3 m -105.7 127.14 52.9 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 176.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -124.66 86.16 55.96 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -175.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.448 ' HA ' ' O ' ' A' ' 112' ' ' VAL . 5.8 Cg_exo -79.51 63.25 8.71 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.431 2.088 . . . . 0.0 109.579 167.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -156.06 -72.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.362 -169.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.458 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 57.4 m170 -115.03 144.19 31.6 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 175.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 88' ' ' HIS . 15.0 Cg_exo -68.88 95.96 0.5 Allowed 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.89 2.393 . . . . 0.0 113.86 -173.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.469 ' HB2' ' HB2' ' A' ' 111' ' ' SER . . . 61.79 25.05 15.02 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.473 -0.785 . . . . 0.0 113.042 168.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -131.07 152.58 80.9 Favored Pre-proline 0 C--N 1.32 -0.69 0 O-C-N 122.059 -0.401 . . . . 0.0 110.334 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -73.85 -175.28 2.04 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.886 2.391 . . . . 0.0 113.841 -174.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.0 m -150.28 -179.45 7.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.061 -0.972 . . . . 0.0 108.837 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -59.89 -48.62 80.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.588 0.232 . . . . 0.0 111.156 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.6 m -61.77 -35.23 77.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.049 0.452 . . . . 0.0 111.171 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -66.6 -41.37 88.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.546 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.2 -39.27 86.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.834 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 44.8 mt-10 -58.49 -27.24 64.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.19 178.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -93.27 -13.51 28.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.025 0.441 . . . . 0.0 110.608 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.81 57.88 4.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.137 -178.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.58 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 3.1 m -101.42 12.22 37.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.486 0.66 . . . . 0.0 109.979 177.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -109.67 88.05 6.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.241 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.58 ' HD3' ' O ' ' A' ' 101' ' ' THR . 17.3 Cg_exo -66.15 142.17 66.33 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.579 2.186 . . . . 0.0 111.762 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.2 -21.81 43.87 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.978 -0.63 . . . . 0.0 111.575 -178.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.43 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 17.5 m-85 -83.93 141.65 31.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.03 0.443 . . . . 0.0 110.529 179.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.0 m -95.84 126.78 41.34 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.884 177.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.424 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 90.0 m-85 -103.32 119.46 38.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.848 0.356 . . . . 0.0 110.512 -175.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.556 ' HB ' ' HB3' ' A' ' 82' ' ' TYR . 61.9 t -102.43 126.02 56.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-O 121.149 0.499 . . . . 0.0 110.372 178.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 75.8 mt -114.41 121.43 66.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.886 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.446 HG21 ' HA ' ' A' ' 12' ' ' ARG . 7.2 p -104.0 131.51 52.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.403 0.621 . . . . 0.0 110.792 -179.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.469 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 19.4 t -83.64 107.07 15.85 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.351 178.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.549 HG21 ' HA3' ' A' ' 15' ' ' GLY . 61.4 t -118.45 117.3 54.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -113.04 92.04 3.87 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.866 0.365 . . . . 0.0 110.457 -177.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.504 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 37.5 t70 49.48 65.64 1.34 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.812 176.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.453 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 87.93 -16.34 51.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.886 176.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -103.9 105.23 47.3 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 122.43 -0.453 . . . . 0.0 111.391 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.502 ' CB ' ' HB2' ' A' ' 12' ' ' ARG . 3.7 Cg_exo -77.01 104.87 1.98 Allowed 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.785 2.324 . . . . 0.0 111.153 175.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -70.49 -72.49 0.2 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.261 -175.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -148.81 158.57 44.25 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.984 -175.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.576 HD11 ' HB3' ' A' ' 12' ' ' ARG . 5.6 mp -109.34 133.09 53.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.571 176.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.411 ' OG1' ' HB1' ' A' ' 90' ' ' ALA . 17.5 p -127.77 140.79 51.84 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.901 178.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.55 144.0 38.44 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.129 0.49 . . . . 0.0 110.035 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -132.11 141.51 49.18 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.011 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.8 139.57 39.39 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.708 177.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 103' ' ' PRO . 60.9 tp -80.77 131.25 35.4 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.92 138.18 93.85 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 176.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.04 -33.76 64.5 Favored 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 123.128 2.552 . . . . 0.0 113.126 -177.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.41 ' C ' ' HD2' ' A' ' 129' ' ' ARG . 8.1 t70 -85.79 6.31 28.57 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.996 0.427 . . . . 0.0 110.796 -178.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.41 ' HD2' ' C ' ' A' ' 128' ' ' ASP . 1.0 OUTLIER 61.46 26.97 16.63 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.604 -179.525 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 34.7 t -81.96 -47.75 12.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.677 -174.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -152.22 -175.48 5.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.128 0.49 . . . . 0.0 111.754 -172.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -105.5 147.45 28.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.726 174.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -124.03 147.96 47.42 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.919 0.39 . . . . 0.0 110.065 175.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 134' ' ' ARG . 9.3 tpt180 -70.3 135.09 48.59 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.804 -178.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -120.22 153.42 36.32 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.542 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -106.27 128.56 54.06 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.409 -178.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.402 ' N ' HD12 ' A' ' 137' ' ' ILE . 4.0 mp -83.68 114.95 25.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.101 0.477 . . . . 0.0 110.282 -175.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -109.54 154.95 10.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.381 -178.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -90.52 159.18 41.83 Favored Pre-proline 0 C--N 1.312 -1.038 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.736 175.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.481 ' HD3' ' O ' ' A' ' 3' ' ' THR . 39.1 Cg_exo -57.74 130.82 40.55 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 122.114 1.876 . . . . 0.0 110.52 171.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.327 -0.411 0 O-C-N 123.738 0.648 . . . . 0.0 110.631 -178.509 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ttt . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.826 0.346 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.56 ' HG2' ' HB3' ' A' ' 140' ' ' PRO . 13.7 mptt -112.0 137.49 49.95 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 176.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.9 t -158.45 173.62 16.35 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.119 -176.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.3 p -107.48 151.85 41.12 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.294 -178.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.596 ' HA ' HD12 ' A' ' 8' ' ' LEU . 16.9 Cg_endo -57.88 -33.15 96.66 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.482 2.788 . . . . 0.0 113.073 -178.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -59.63 -39.98 86.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.267 179.06 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.48 ' O ' HG13 ' A' ' 11' ' ' ILE . 51.0 mm -68.45 -41.54 83.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 176.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.636 HD11 HG21 ' A' ' 137' ' ' ILE . 79.0 mt -56.5 -46.73 80.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.078 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.523 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 11.0 t70 -66.41 -37.14 84.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.405 -177.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 46.5 mt-30 -61.27 -36.2 79.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.073 175.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 7' ' ' ILE . 75.6 mt -65.93 -49.84 74.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.068 178.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.523 ' HG2' ' HA ' ' A' ' 9' ' ' ASP . 2.0 ptm180 -64.52 -38.3 90.52 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.082 -178.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.1 t -69.05 -45.97 79.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.661 0.267 . . . . 0.0 110.51 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -65.25 -32.75 74.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.828 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.79 -46.61 91.38 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.991 177.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.07 -27.52 63.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.849 0.357 . . . . 0.0 111.034 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -73.8 -39.22 64.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.306 -177.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.4 -35.84 53.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.969 -176.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.446 ' HA ' ' N ' ' A' ' 21' ' ' GLU . 3.8 m-85 -65.71 162.13 46.68 Favored Pre-proline 0 C--N 1.33 -0.269 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -174.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.401 ' C ' ' HA ' ' A' ' 19' ' ' TYR . 43.9 Cg_endo -68.87 -8.98 9.13 Favored 'Cis proline' 0 C--N 1.354 0.823 0 C-N-CA 124.1 -1.208 . . . . 0.0 114.632 5.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.446 ' N ' ' HA ' ' A' ' 19' ' ' TYR . 41.9 mt-10 -75.62 157.58 33.58 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 176.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -92.35 133.59 35.72 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.073 0.463 . . . . 0.0 110.982 -177.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.54 -63.29 1.23 Allowed Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 176.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 44' ' ' ARG . 63.2 m 62.68 176.38 0.14 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.179 0.514 . . . . 0.0 112.032 175.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 43' ' ' HIS . . . 145.12 -164.82 27.88 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.262 177.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.431 ' HA ' ' HA ' ' A' ' 81' ' ' VAL . 96.0 m-85 -108.73 160.49 15.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.058 0.456 . . . . 0.0 111.158 -177.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.6 mt -104.03 127.42 51.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.599 176.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.584 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 72.3 mt -108.0 145.27 34.14 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.896 0.379 . . . . 0.0 110.521 -176.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.453 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . 176.93 -153.35 13.66 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.699 179.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.2 p -121.28 152.31 39.05 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.716 0.293 . . . . 0.0 110.727 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.0 t -92.78 134.27 31.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.031 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.455 ' O ' ' HB3' ' A' ' 33' ' ' ASP . 8.1 t -115.82 140.08 49.57 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 178.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.455 ' HB3' ' O ' ' A' ' 32' ' ' THR . 28.7 t70 72.79 -12.34 0.77 Allowed 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.508 0.505 . . . . 0.0 111.159 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.427 ' H ' ' C ' ' A' ' 32' ' ' THR . 20.2 t70 75.48 12.73 3.13 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.9 -172.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -125.71 -44.75 0.25 Allowed Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.145 -0.934 . . . . 0.0 112.772 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -102.24 172.21 7.03 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -177.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.782 ' HB2' ' HB ' ' A' ' 79' ' ' VAL . 8.3 p30 -128.98 142.24 50.99 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.16 0.505 . . . . 0.0 111.541 -174.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.475 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 37.9 ttt180 -115.87 105.89 13.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.624 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 49.0 t -84.49 122.62 38.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.681 -176.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -134.62 2.95 3.24 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -176.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.584 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -154.07 150.14 27.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.775 0.322 . . . . 0.0 111.307 179.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.3 mt -109.19 157.02 19.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.178 0.513 . . . . 0.0 111.404 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.407 ' O ' ' HA3' ' A' ' 25' ' ' GLY . 73.6 t60 -141.21 135.69 30.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.665 174.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.453 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 15.9 ptt180 -107.23 140.35 40.25 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 178.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.425 ' HA ' ' OD1' ' A' ' 63' ' ' ASP . . . . . . . . 0 C--N 1.331 -0.207 0 O-C-N 123.75 0.656 . . . . 0.0 111.78 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.425 ' OD1' ' HA ' ' A' ' 45' ' ' ALA . 36.3 t70 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.584 0.23 . . . . 0.0 111.293 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -60.1 -45.97 91.17 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 120.882 0.372 . . . . 0.0 110.062 178.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.416 ' HD3' HH11 ' A' ' 65' ' ' ARG . 37.1 mtt180 -61.11 -39.32 89.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.898 177.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.68 -37.55 79.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.045 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.08 -42.74 84.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.314 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.463 ' O ' ' HG2' ' A' ' 72' ' ' GLN . 33.6 t70 -69.36 -40.15 77.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.648 -178.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.509 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -60.4 -53.68 54.72 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.949 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.13 -32.47 74.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.97 0.414 . . . . 0.0 110.401 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.496 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -62.86 -52.26 63.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.81 177.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 10.2 pt20 -66.89 -32.35 73.56 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.881 -178.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 73.9 mt-10 -59.97 -39.97 87.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.257 0.551 . . . . 0.0 110.941 173.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -87.61 -0.24 56.58 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.894 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.89 29.81 64.5 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.251 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.5 mt -126.32 -177.25 3.91 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -178.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -142.23 175.88 9.41 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 173.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.3 t -81.3 111.84 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.131 -178.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.782 ' HB ' ' HB2' ' A' ' 37' ' ' ASN . 29.3 m -106.1 -13.01 9.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.67 -176.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -165.12 -178.74 38.59 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.185 -1.007 . . . . 0.0 112.719 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.431 ' HA ' ' HA ' ' A' ' 26' ' ' PHE . 2.9 t -139.67 157.04 26.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -139.4 136.2 34.45 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.468 0.651 . . . . 0.0 110.849 174.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -144.8 131.78 20.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.007 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.6 p -105.49 154.38 20.44 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.108 0.48 . . . . 0.0 111.271 -174.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 49.3 m80 -114.8 143.34 29.87 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 175.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 8.3 Cg_exo -72.91 84.27 1.3 Allowed 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.603 2.202 . . . . 0.0 111.581 177.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.482 ' CG ' ' HE ' ' A' ' 113' ' ' ARG . 48.3 t0 59.89 90.4 0.06 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.705 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.547 ' HB3' ' HD2' ' A' ' 89' ' ' PRO . 4.9 m170 -155.93 166.54 16.15 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.351 -0.841 . . . . 0.0 108.928 178.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.547 ' HD2' ' HB3' ' A' ' 88' ' ' HIS . 24.2 Cg_endo -61.31 5.35 0.18 Allowed 'Trans proline' 0 N--CA 1.486 1.048 0 C-N-CA 123.278 2.652 . . . . 0.0 115.257 -172.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 70.44 -5.67 1.33 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.736 0.814 . . . . 0.0 113.09 173.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.03 145.65 30.2 Favored Pre-proline 0 C--N 1.312 -1.032 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 174.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_exo -61.18 135.61 59.49 Favored 'Trans proline' 0 C--O 1.236 0.4 0 C-N-CA 122.787 2.324 . . . . 0.0 112.725 -176.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.2 m -86.17 179.44 6.94 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 173.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.684 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -58.38 -47.95 82.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.664 0.268 . . . . 0.0 110.838 179.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.493 ' HA ' ' OE1' ' A' ' 98' ' ' GLU . 87.4 m -65.85 -33.05 74.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.808 -178.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -59.82 -41.47 91.38 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.14 0.495 . . . . 0.0 110.051 176.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.9 tt -69.3 -39.04 78.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.963 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.684 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 55.8 mt-10 -59.94 -40.05 87.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.933 -177.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 95' ' ' THR . 14.9 pt-20 -91.63 -10.48 40.24 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.368 -179.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.92 91.37 6.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.095 0.474 . . . . 0.0 110.11 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.9 m -119.99 26.8 9.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.398 0.618 . . . . 0.0 110.307 -177.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -113.19 86.92 10.09 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.674 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -71.8 143.05 40.57 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.562 2.175 . . . . 0.0 112.236 -178.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.76 -19.91 52.47 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.996 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -91.88 143.72 26.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.873 0.368 . . . . 0.0 110.478 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 36.6 m -92.73 126.58 37.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.011 176.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -96.66 114.82 26.5 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.616 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 67.8 t -97.76 116.61 40.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 121.232 0.539 . . . . 0.0 109.987 174.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.1 mt -110.61 125.27 67.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.778 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.68 ' HB ' HD23 ' A' ' 120' ' ' LEU . 5.1 p -117.39 139.93 42.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.322 178.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.0 t -95.66 106.75 18.88 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.383 176.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.48 ' HA ' ' HA ' ' A' ' 117' ' ' PRO . 22.7 t -108.41 116.59 52.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.09 0.471 . . . . 0.0 109.813 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.482 ' HE ' ' CG ' ' A' ' 87' ' ' ASP . 43.0 ttm180 -94.11 88.43 5.64 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.459 -176.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 37.9 t70 64.5 11.85 6.93 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.937 174.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.473 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 137.27 -22.65 3.21 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.911 -178.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -99.85 105.87 37.34 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.648 0.261 . . . . 0.0 111.339 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.48 ' HA ' ' HA ' ' A' ' 112' ' ' VAL . 5.7 Cg_exo -74.46 113.97 3.92 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.933 2.422 . . . . 0.0 111.323 176.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -88.9 -68.16 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.172 -177.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -110.87 129.7 55.79 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.979 -174.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.68 HD23 ' HB ' ' A' ' 110' ' ' VAL . 15.5 mt -104.94 121.2 43.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.424 171.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 20.0 p -132.27 135.15 46.04 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.687 0.279 . . . . 0.0 110.643 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.92 142.19 41.6 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -134.64 137.69 43.86 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.921 -174.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.68 126.85 52.16 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.941 176.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 64.7 tp -84.68 119.36 25.16 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.75 143.79 98.78 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.814 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo -58.21 -24.74 68.64 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.491 2.127 . . . . 0.0 111.23 176.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -68.73 -22.91 64.3 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.374 176.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 52.12 35.56 16.8 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 114.842 -1.072 . . . . 0.0 112.798 176.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 64.3 m -97.17 -12.35 23.16 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 121.791 -0.568 . . . . 0.0 110.527 173.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -171.75 172.9 4.75 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.452 0.644 . . . . 0.0 110.957 -177.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -106.3 156.48 18.45 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.877 -1.056 . . . . 0.0 108.317 173.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -122.68 140.45 52.84 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 120.944 0.402 . . . . 0.0 109.975 178.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -62.59 136.6 57.97 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.301 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -131.72 156.95 45.02 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.79 -1.096 . . . . 0.0 108.18 177.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -126.26 163.3 23.5 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.084 0.469 . . . . 0.0 110.194 178.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.636 HG21 HD11 ' A' ' 8' ' ' LEU . 50.4 mm -84.03 114.73 25.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 2.4 m -121.12 134.26 65.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -175.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 139' ' ' ARG . 34.3 mtm-85 -93.1 104.79 12.87 Favored Pre-proline 0 C--N 1.319 -0.742 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 170.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.56 ' HB3' ' HG2' ' A' ' 2' ' ' LYS . 61.6 Cg_endo -71.23 154.88 61.53 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 123.071 2.514 . . . . 0.0 114.607 -165.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.326 -0.852 . . . . 0.0 108.756 170.911 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.49 ' HB2' HG21 ' A' ' 106' ' ' THR . 24.9 ttt . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 120.663 0.268 . . . . 0.0 111.296 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 138' ' ' VAL . 13.8 mptt -110.19 124.42 51.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.718 176.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.465 ' O ' ' HA ' ' A' ' 139' ' ' ARG . 10.1 t -159.52 173.75 15.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.476 175.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.6 p -96.06 153.88 39.03 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-O 121.049 0.452 . . . . 0.0 111.287 -177.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.417 ' HA ' HD12 ' A' ' 8' ' ' LEU . 14.1 Cg_endo -58.36 -26.59 78.05 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.021 2.481 . . . . 0.0 111.971 175.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -59.7 -48.93 79.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.272 176.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.617 ' O ' HG13 ' A' ' 11' ' ' ILE . 39.8 mm -61.88 -42.92 96.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.179 176.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.619 HD21 HG21 ' A' ' 137' ' ' ILE . 91.7 mt -56.32 -40.91 75.15 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.531 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.546 ' HA ' ' NH1' ' A' ' 12' ' ' ARG . 13.9 t70 -66.7 -44.04 82.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.06 0.457 . . . . 0.0 109.825 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -63.9 -30.9 71.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.58 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.617 HG13 ' O ' ' A' ' 7' ' ' ILE . 73.2 mt -61.63 -40.85 88.12 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-O 120.81 0.338 . . . . 0.0 110.323 176.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.546 ' NH1' ' HA ' ' A' ' 9' ' ' ASP . 55.0 mtm-85 -65.64 -39.76 91.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 0.0 110.149 177.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 9' ' ' ASP . 57.6 t -56.35 -38.63 56.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.41 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -31.9 63.47 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 177.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.4 -50.19 69.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.892 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.27 -42.73 54.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.851 0.358 . . . . 0.0 111.319 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.68 -38.8 92.22 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.869 -173.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.634 ' HB1' ' HG2' ' A' ' 22' ' ' GLU . . . -82.7 -33.01 27.74 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.491 -174.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.406 ' HE2' ' HA ' ' A' ' 114' ' ' ASP . 0.8 OUTLIER -52.58 139.12 40.04 Favored Pre-proline 0 C--N 1.332 -0.178 0 O-C-N 123.317 0.385 . . . . 0.0 110.837 -175.642 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -90.59 -2.88 56.88 Favored 'Cis proline' 0 CA--C 1.535 0.544 0 C-N-CA 123.729 -1.363 . . . . 0.0 114.292 3.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -80.63 176.55 9.7 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -173.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.634 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 0.3 OUTLIER 47.33 -154.34 0.07 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.424 1.089 . . . . 0.0 111.54 -175.128 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.81 -38.71 1.26 Allowed Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 -176.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.0 p -110.68 166.44 11.01 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 174.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 172.11 178.45 42.35 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.344 -0.931 . . . . 0.0 112.016 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -109.8 149.85 29.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.048 0.451 . . . . 0.0 111.178 -175.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 73.6 mt -98.98 124.99 44.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.523 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.53 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 85.6 mt -104.69 133.09 50.12 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.097 0.475 . . . . 0.0 110.563 -177.082 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -179.84 -152.43 10.8 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.086 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.9 p -136.14 160.37 38.88 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.7 t -88.42 106.33 16.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 173.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.4 t -77.29 121.59 23.92 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.158 -171.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.495 ' O ' ' HB3' ' A' ' 34' ' ' ASP . 6.1 t70 63.89 -0.15 0.84 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 114.214 -1.357 . . . . 0.0 111.93 177.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.495 ' HB3' ' O ' ' A' ' 33' ' ' ASP . 31.9 t70 73.6 19.58 3.27 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 122.15 0.976 . . . . 0.0 109.334 -175.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -105.11 -24.82 7.02 Favored Glycine 0 CA--C 1.521 0.414 0 CA-C-N 115.108 -0.951 . . . . 0.0 113.245 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -170.13 170.98 7.13 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -88.75 130.31 35.37 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.202 0.525 . . . . 0.0 111.053 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -107.67 106.38 16.68 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.719 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.9 t -94.5 116.66 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.141 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -117.35 -20.16 9.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.718 -176.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.53 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -132.65 142.21 48.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.967 0.413 . . . . 0.0 111.151 -178.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.4 mt -107.65 134.74 50.2 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.588 178.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -119.02 120.64 37.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.804 0.335 . . . . 0.0 110.274 176.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.579 ' HA ' ' OH ' ' A' ' 82' ' ' TYR . 76.5 mtt180 -82.71 134.99 35.13 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.723 -0.844 . . . . 0.0 108.723 177.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.088 0.47 . . . . 0.0 110.59 179.171 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.0 t70 . . . . . 0 C--O 1.235 0.328 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -54.9 -50.8 67.87 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.413 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 65' ' ' ARG . 35.4 mtt180 -60.52 -36.21 77.83 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -176.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.48 -41.38 80.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.961 0.41 . . . . 0.0 110.457 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.16 -40.56 86.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.923 174.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.05 -45.09 96.17 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.267 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.11 -51.24 67.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.018 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.12 -33.27 75.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.338 -178.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.497 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -62.0 -51.32 68.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.307 176.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -59.94 -44.23 94.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.771 179.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.42 -43.43 83.8 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 177.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -83.68 -4.59 58.73 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.128 -178.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.21 32.76 59.9 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.882 -177.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.2 mt -125.94 -179.75 4.84 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -143.87 177.49 8.5 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 174.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.8 t -81.18 110.43 16.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.892 0.377 . . . . 0.0 110.364 -176.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.5 m -111.64 -1.46 9.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.708 -176.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.498 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -174.76 -179.96 45.68 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 119.755 -1.212 . . . . 0.0 113.334 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 107' ' ' TYR . 3.8 t -138.67 153.86 26.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.579 ' OH ' ' HA ' ' A' ' 44' ' ' ARG . 11.7 p90 -127.57 152.67 47.33 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.787 177.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -134.31 126.51 29.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.545 176.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.1 m -105.75 126.1 51.77 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 66.3 m170 -100.65 142.69 25.11 Favored Pre-proline 0 C--N 1.322 -0.609 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.305 -178.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -82.1 98.31 0.94 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 122.727 2.284 . . . . 0.0 110.256 171.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 44.8 t0 70.29 -170.69 0.17 Allowed 'General case' 0 C--O 1.237 0.427 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -176.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 32.7 m170 67.93 160.86 0.14 Allowed Pre-proline 0 N--CA 1.472 0.657 0 C-N-CA 123.447 0.699 . . . . 0.0 111.829 178.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -57.67 154.88 34.5 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 123.186 2.591 . . . . 0.0 113.329 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -83.25 37.33 0.55 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.752 -176.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.501 ' NH1' ' HA ' ' A' ' 93' ' ' SER . 7.7 ppt_? -113.79 151.98 45.17 Favored Pre-proline 0 C--N 1.322 -0.587 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -61.79 132.36 39.59 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.802 2.335 . . . . 0.0 112.692 -177.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.501 ' HA ' ' NH1' ' A' ' 91' ' ' ARG . 12.6 t -95.3 -170.77 2.24 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 176.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.1 -47.45 74.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.922 0.392 . . . . 0.0 111.175 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.7 m -67.44 -39.87 85.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.528 -177.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -61.43 -42.27 98.49 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.054 0.454 . . . . 0.0 110.062 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.65 -44.09 74.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.973 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -68.64 -33.13 73.49 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.502 -176.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -94.9 8.1 43.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.022 0.439 . . . . 0.0 111.302 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.03 61.55 6.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.358 0.599 . . . . 0.0 110.266 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.672 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 6.1 t -95.85 8.26 44.07 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.817 -175.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.481 ' HB3' ' CD1' ' A' ' 105' ' ' PHE . 76.4 m-85 -104.64 87.13 1.64 Allowed Pre-proline 0 C--N 1.317 -0.839 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.33 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.672 ' HD3' ' O ' ' A' ' 101' ' ' THR . 4.0 Cg_exo -76.08 123.86 7.56 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.64 2.227 . . . . 0.0 111.917 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 109.4 -7.82 32.44 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.809 -179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.498 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 33.8 m-85 -93.72 151.19 19.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.704 0.288 . . . . 0.0 110.497 178.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.49 HG21 ' HB2' ' A' ' 1' ' ' MET . 25.2 m -92.38 126.78 37.61 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.3 178.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.432 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 88.9 m-85 -102.99 115.35 30.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.054 -177.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 99.8 t -101.7 125.9 55.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 174.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 68.6 mt -120.11 129.73 75.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.203 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.768 ' HB ' ' HB3' ' A' ' 120' ' ' LEU . 3.3 p -130.67 132.03 64.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-O 121.301 0.572 . . . . 0.0 110.705 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.6 m -84.24 111.66 19.58 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.812 177.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.3 t -111.61 115.97 51.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 176.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.35 86.21 2.78 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -176.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.406 ' HA ' ' HE2' ' A' ' 19' ' ' TYR . 38.6 t70 54.32 62.88 2.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.673 -179.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.01 -35.64 4.01 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.786 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.424 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . . . -86.25 111.29 37.71 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.75 0.31 . . . . 0.0 111.724 -176.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 116' ' ' ALA . 1.3 Cg_endo -84.32 110.94 1.53 Allowed 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 123.267 2.644 . . . . 0.0 111.511 179.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -77.23 -76.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -176.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -139.12 141.54 38.09 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.029 -175.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.768 ' HB3' ' HB ' ' A' ' 110' ' ' VAL . 2.4 pp -119.42 152.71 36.39 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.912 172.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.486 HG21 ' NE ' ' A' ' 134' ' ' ARG . 5.1 m -149.44 161.88 41.23 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 176.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -108.95 138.67 44.93 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.405 ' CZ3' ' HB2' ' A' ' 134' ' ' ARG . 78.4 m95 -123.18 140.13 53.34 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.845 -175.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.45 128.06 52.27 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.452 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.72 HD21 ' HG2' ' A' ' 129' ' ' ARG . 57.5 tp -80.97 135.79 35.92 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.128 -178.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.436 ' HB3' ' H ' ' A' ' 131' ' ' GLU . . . -62.09 149.66 85.89 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 174.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -37.27 -57.81 0.65 Allowed 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 123.797 2.998 . . . . 0.0 114.432 -175.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -102.4 31.08 4.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.083 0.468 . . . . 0.0 110.895 -176.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.72 ' HG2' HD21 ' A' ' 125' ' ' LEU . 55.5 mtm180 66.35 18.32 10.86 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.406 176.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 11.7 m -65.77 -29.3 69.78 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -173.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.436 ' H ' ' HB3' ' A' ' 126' ' ' ALA . 12.6 pt-20 -169.61 179.74 3.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.614 0.245 . . . . 0.0 110.778 -178.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -116.05 153.62 31.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.639 175.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -127.7 147.02 50.38 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 172.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.486 ' NE ' HG21 ' A' ' 121' ' ' THR . 46.6 ttt180 -95.57 146.07 24.74 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.991 0.424 . . . . 0.0 111.33 -174.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -140.66 153.53 46.04 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.955 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -96.92 154.01 17.55 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 173.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.619 HG21 HD21 ' A' ' 8' ' ' LEU . 3.4 mp -83.52 122.0 37.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.096 0.474 . . . . 0.0 110.437 -174.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 3.7 m -109.68 154.17 11.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.803 178.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.465 ' HA ' ' O ' ' A' ' 3' ' ' THR . 44.9 mtm180 -78.45 158.55 76.22 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.818 179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -72.85 99.01 1.03 Allowed 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.835 1.69 . . . . 0.0 111.576 174.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--N 1.319 -0.74 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.898 -179.723 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.673 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 24.0 ttt . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 120.733 0.302 . . . . 0.0 111.301 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -113.71 134.41 54.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.88 176.51 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.5 t -157.6 144.88 18.4 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.817 0.341 . . . . 0.0 110.726 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.548 ' HB ' ' OD1' ' A' ' 6' ' ' ASP . 0.7 OUTLIER -74.51 151.2 87.26 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.031 -175.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -62.32 -31.32 81.73 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.919 2.412 . . . . 0.0 112.361 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.548 ' OD1' ' HB ' ' A' ' 4' ' ' THR . 5.7 p-10 -66.77 -32.88 74.47 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.621 178.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.548 ' O ' HG13 ' A' ' 11' ' ' ILE . 46.3 mm -67.94 -44.69 84.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 174.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.8 mt -58.95 -38.17 78.44 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.807 177.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.503 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 32.3 t70 -63.7 -47.16 82.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.28 0.562 . . . . 0.0 110.496 176.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.443 ' NE2' HD13 ' A' ' 7' ' ' ILE . 47.8 mt-30 -60.37 -31.36 70.27 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.18 176.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.548 HG13 ' O ' ' A' ' 7' ' ' ILE . 78.5 mt -68.03 -49.07 71.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.158 177.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' A' ' 9' ' ' ASP . 16.3 ptt180 -64.32 -36.72 85.05 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.634 0.254 . . . . 0.0 110.772 -178.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.6 t -69.13 -39.19 79.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.993 0.425 . . . . 0.0 109.89 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.667 ' HE1' ' HD3' ' A' ' 44' ' ' ARG . 80.9 t60 -59.09 -28.92 66.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.404 178.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.42 -47.51 90.77 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.483 -0.865 . . . . 0.0 111.966 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.8 -36.95 62.48 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.198 0.523 . . . . 0.0 110.959 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.427 ' HB3' ' HA ' ' A' ' 14' ' ' HIS . 17.1 t70 -67.09 -39.6 86.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.174 -174.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.429 ' HB1' ' HA3' ' A' ' 23' ' ' GLY . . . -75.55 -38.7 59.05 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.733 -177.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -71.31 159.22 86.19 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.358 -175.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -73.17 -4.2 14.96 Favored 'Cis proline' 0 N--CA 1.477 0.512 0 C-N-CA 124.029 -1.238 . . . . 0.0 114.195 4.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -67.66 157.31 34.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.159 0.504 . . . . 0.0 111.291 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -71.2 98.38 1.7 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.853 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.429 ' HA3' ' HB1' ' A' ' 18' ' ' ALA . . . -81.89 52.7 4.64 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.07 -0.586 . . . . 0.0 113.21 -175.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.6 p -68.49 153.69 43.27 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 120.957 0.408 . . . . 0.0 111.373 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -175.39 175.96 47.26 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.58 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -124.24 160.84 27.06 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.747 0.308 . . . . 0.0 110.457 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.4 mt -94.29 112.06 23.84 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.557 178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.559 HD22 ' HB2' ' A' ' 71' ' ' ALA . 51.0 mt -104.72 132.38 51.03 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.136 0.493 . . . . 0.0 110.424 -177.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.541 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . -173.23 -146.31 5.42 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.493 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.5 p -129.95 159.57 36.24 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.808 0.337 . . . . 0.0 110.778 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.1 t -88.04 106.22 16.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 175.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.628 ' HB ' ' HE ' ' A' ' 38' ' ' ARG . 3.3 t -99.04 152.35 19.92 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.475 -1.239 . . . . 0.0 110.035 -173.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 67.95 -0.75 1.94 Allowed 'General case' 0 N--CA 1.462 0.159 0 O-C-N 123.69 0.619 . . . . 0.0 110.433 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.0 t70 51.95 61.99 2.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.657 -1.156 . . . . 0.0 109.623 -170.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.47 -31.82 0.16 Allowed Glycine 0 N--CA 1.444 -0.819 0 CA-C-N 114.341 -1.3 . . . . 0.0 111.962 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -107.03 178.2 4.63 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.855 ' HB2' ' HB ' ' A' ' 79' ' ' VAL . 20.9 p-10 -136.9 128.16 28.07 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.056 0.455 . . . . 0.0 111.15 -173.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.628 ' HE ' ' HB ' ' A' ' 32' ' ' THR . 9.8 ptp180 -115.79 145.42 42.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.288 0.566 . . . . 0.0 110.7 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.6 t -101.66 117.85 47.58 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.02 -177.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -107.58 -24.81 11.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.468 -176.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -152.61 153.77 34.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.225 0.536 . . . . 0.0 111.295 -176.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.7 mt -117.0 149.51 40.14 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.311 176.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -144.86 134.74 23.71 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 177.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.667 ' HD3' ' HE1' ' A' ' 14' ' ' HIS . 7.9 mmm180 -72.89 135.87 45.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.218 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.472 ' HB1' ' OD1' ' A' ' 63' ' ' ASP . . . . . . . . 0 C--N 1.317 -0.835 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.021 172.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.472 ' OD1' ' HB1' ' A' ' 45' ' ' ALA . 36.2 t70 . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -52.18 -45.35 65.11 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -173.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.4 ' HA ' ' HB3' ' A' ' 68' ' ' ASP . 4.3 mmt180 -53.55 -34.16 57.28 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -178.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.73 -47.52 75.03 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.536 -178.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.75 -35.8 75.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.231 0.539 . . . . 0.0 109.989 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.4 ' HB3' ' HA ' ' A' ' 65' ' ' ARG . 13.7 t70 -62.84 -48.59 78.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.019 178.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.45 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -69.25 -49.84 52.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.099 -177.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.68 -34.48 69.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.119 -177.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.559 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -63.05 -52.18 63.78 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.211 177.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -64.66 -35.23 80.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.85 -178.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 54.8 mt-10 -60.85 -38.25 84.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.43 0.633 . . . . 0.0 110.888 176.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -90.01 5.78 45.09 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.963 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.98 16.89 79.28 Favored Glycine 0 C--N 1.329 0.192 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.647 178.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 67.1 mt -114.1 -176.83 2.99 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -150.15 170.75 18.19 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 173.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.8 t -77.32 108.26 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.91 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.855 ' HB ' ' HB2' ' A' ' 37' ' ' ASN . 29.0 m -102.92 -6.45 9.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.445 -177.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.433 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -176.3 174.44 46.96 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.412 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.5 t -121.4 152.03 24.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -135.61 134.91 39.79 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.252 -177.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -150.35 150.5 31.52 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.762 174.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.4 p -103.97 144.64 31.26 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 177.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.447 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 2.3 t-160 -130.38 138.41 32.99 Favored Pre-proline 0 C--N 1.319 -0.718 0 C-N-CA 119.497 -0.881 . . . . 0.0 111.85 -170.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.464 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 61.4 Cg_endo -104.76 -171.45 0.06 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.147 0 C-N-CA 124.32 3.347 . . . . 0.0 110.571 165.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.464 ' HB3' ' O ' ' A' ' 86' ' ' PRO . 19.8 t70 70.81 -69.7 0.17 Allowed 'General case' 0 N--CA 1.474 0.749 0 CA-C-O 120.807 0.337 . . . . 0.0 110.449 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 61.0 m80 -107.2 140.27 21.28 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 167.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -84.57 -58.9 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 121.543 1.495 . . . . 0.0 115.025 -165.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.421 ' O ' ' HZ2' ' A' ' 123' ' ' TRP . . . -128.95 43.24 3.18 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.121 0.486 . . . . 0.0 111.328 -170.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.542 ' HB2' ' HD2' ' A' ' 92' ' ' PRO . 34.9 ptt85 -164.83 161.62 15.02 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.003 172.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.542 ' HD2' ' HB2' ' A' ' 91' ' ' ARG . 39.6 Cg_endo -66.7 -174.75 0.49 Allowed 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.629 2.219 . . . . 0.0 113.286 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.474 ' H ' ' HB3' ' A' ' 96' ' ' ASP . 49.3 m -151.08 -169.88 3.51 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.335 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.46 -49.28 74.28 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -171.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.2 m -79.47 -34.86 41.07 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.805 0.336 . . . . 0.0 110.53 -177.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.474 ' HB3' ' H ' ' A' ' 93' ' ' SER . 3.7 t70 -58.87 -39.57 81.77 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.638 176.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -69.28 -45.33 69.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.433 177.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -62.13 -39.37 92.34 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -173.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -79.88 -17.28 53.54 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.6 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -83.24 67.19 9.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.302 0.572 . . . . 0.0 110.418 177.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.7 m -95.89 11.94 32.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.453 -175.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -120.38 86.92 39.69 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.21 0.528 . . . . 0.0 111.44 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.478 ' HA ' HD23 ' A' ' 125' ' ' LEU . 66.4 Cg_endo -76.26 88.81 1.31 Allowed 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.552 2.168 . . . . 0.0 112.457 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -172.04 21.94 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.082 176.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.433 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 92.0 m-85 -141.47 163.67 32.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.558 0.218 . . . . 0.0 110.545 -177.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.0 m -92.75 138.42 31.51 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 173.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -111.46 114.41 27.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.826 0.346 . . . . 0.0 111.232 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.4 t -98.08 116.54 41.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.028 0.442 . . . . 0.0 109.918 175.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.0 mt -111.77 117.9 56.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.322 177.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.6 p -109.57 136.91 44.06 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-O 121.191 0.52 . . . . 0.0 110.195 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.48 ' HB3' ' H ' ' A' ' 119' ' ' ALA . 32.7 t -81.19 107.25 13.83 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.296 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 65.6 t -118.48 115.68 48.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.588 178.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.516 ' HB2' ' HB3' ' A' ' 116' ' ' ALA . 19.4 mtp180 -91.66 49.29 1.55 Allowed 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.848 -176.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 30.7 t70 62.74 84.13 0.15 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.79 -178.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 81.99 -2.19 84.54 Favored Glycine 0 N--CA 1.452 -0.252 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.482 -179.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.516 ' HB3' ' HB2' ' A' ' 113' ' ' ARG . . . -120.84 112.43 33.66 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 122.618 -0.342 . . . . 0.0 111.401 -178.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 116' ' ' ALA . 4.4 Cg_exo -77.82 118.18 4.41 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.998 2.465 . . . . 0.0 111.327 176.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.475 ' OE2' ' HD2' ' A' ' 113' ' ' ARG . 42.4 tt0 -100.11 -69.04 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.803 0.335 . . . . 0.0 110.976 -177.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.48 ' H ' ' HB3' ' A' ' 111' ' ' SER . . . -144.17 154.89 43.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.801 -177.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.2 tt -119.15 128.69 54.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 37.3 p -131.72 141.24 49.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.631 0.253 . . . . 0.0 111.123 -177.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -113.05 133.53 54.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.851 0.358 . . . . 0.0 110.192 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.421 ' HZ2' ' O ' ' A' ' 90' ' ' ALA . 70.5 m95 -128.74 149.81 50.55 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.288 -173.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -110.79 131.06 55.37 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.411 174.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 103' ' ' PRO . 50.7 tp -81.11 139.61 35.54 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.458 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . . . -61.64 142.77 94.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.455 177.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 126' ' ' ALA . 32.1 Cg_exo -59.15 -21.34 59.03 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.919 2.413 . . . . 0.0 112.756 -177.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -113.78 26.22 10.54 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 46.15 34.03 1.96 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.044 0.938 . . . . 0.0 111.966 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.36 -39.92 77.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.629 -179.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -178.71 -174.52 0.37 Allowed 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.067 -175.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.451 ' CD1' ' HG3' ' A' ' 92' ' ' PRO . 82.5 m-85 -106.04 144.46 32.72 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 176.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -124.48 146.2 49.08 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 176.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 18.1 tpt85 -79.24 134.81 36.65 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.433 -175.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -131.49 162.1 31.01 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.449 -176.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -101.92 144.13 30.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.87 0.367 . . . . 0.0 111.337 -174.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 58.8 mt -96.63 131.93 42.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.531 -178.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.55 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 1.3 m -109.59 150.09 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.93 0.395 . . . . 0.0 110.829 178.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.554 ' HG2' ' HD2' ' A' ' 140' ' ' PRO . 9.5 ttp180 -94.04 139.59 22.63 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.476 -175.122 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.554 ' HD2' ' HG2' ' A' ' 139' ' ' ARG . 29.6 Cg_exo -27.23 125.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.762 1 C-N-CA 125.743 4.295 . . . . 0.0 115.817 -177.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.319 -0.728 0 CA-C-N 114.223 -1.353 . . . . 0.0 110.287 177.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.531 ' HA ' ' O ' ' A' ' 138' ' ' VAL . 12.3 mptt -106.02 120.59 42.17 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.882 0.372 . . . . 0.0 110.745 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.0 t -159.4 173.87 15.58 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.45 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.8 p -103.1 156.09 35.79 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 120.766 0.317 . . . . 0.0 110.711 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.404 ' HA ' HD12 ' A' ' 8' ' ' LEU . 11.8 Cg_endo -57.42 -29.38 84.26 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.832 2.354 . . . . 0.0 111.841 176.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.91 -40.05 91.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.271 176.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.481 ' O ' HG13 ' A' ' 11' ' ' ILE . 50.3 mm -73.31 -40.22 56.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.345 -0.389 . . . . 0.0 109.969 177.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.541 HD11 HG21 ' A' ' 137' ' ' ILE . 95.0 mt -56.41 -43.32 79.24 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.392 178.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -60.43 -47.88 84.2 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.485 177.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -57.37 -39.96 77.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.741 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 7' ' ' ILE . 72.5 mt -59.63 -48.95 85.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.872 0.367 . . . . 0.0 110.6 178.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.8 ttp180 -65.32 -43.65 90.31 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.384 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.0 t -64.7 -48.3 85.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.315 -178.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -66.1 -28.59 68.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.557 0.218 . . . . 0.0 111.578 -177.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.4 -49.29 75.46 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.034 176.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.519 ' HB2' ' HG3' ' A' ' 117' ' ' PRO . . . -74.1 -26.98 60.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.886 0.374 . . . . 0.0 110.953 177.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -65.17 -38.52 90.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.109 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.54 -27.28 55.87 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.276 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.745 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 4.7 t80 -59.48 150.12 66.77 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.805 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.745 ' HA ' ' CG ' ' A' ' 19' ' ' TYR . 5.5 Cg_exo -78.41 -4.51 34.47 Favored 'Cis proline' 0 C--N 1.352 0.716 0 C-N-CA 124.703 -0.957 . . . . 0.0 114.002 5.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -75.41 152.79 37.95 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -72.31 111.7 7.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.336 0.589 . . . . 0.0 110.666 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.8 -81.19 0.43 Allowed Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.533 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 58.0 m 66.8 160.04 0.14 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.261 0.553 . . . . 0.0 111.487 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.479 ' HA2' ' N ' ' A' ' 45' ' ' ALA . . . 176.9 -175.29 47.59 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.204 -0.998 . . . . 0.0 112.674 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -120.17 153.39 36.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.785 0.326 . . . . 0.0 110.215 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.9 mt -94.04 121.98 36.08 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.603 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.563 HD22 ' HB2' ' A' ' 71' ' ' ALA . 62.6 mt -104.08 131.84 50.94 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.102 0.477 . . . . 0.0 110.012 -178.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.473 ' HA2' HD13 ' A' ' 76' ' ' LEU . . . 178.3 -148.28 8.4 Favored Glycine 0 N--CA 1.442 -0.956 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -178.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.483 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -137.09 147.18 45.91 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.259 179.123 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.5 t -97.88 123.88 50.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 174.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 59.4 p -79.92 172.5 13.69 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.374 0.607 . . . . 0.0 111.66 -174.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -59.86 -36.56 77.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.072 172.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -76.94 -3.99 41.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.127 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.27 25.91 35.23 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.271 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -85.47 133.59 34.09 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 121.104 0.478 . . . . 0.0 110.02 177.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -98.88 103.16 15.09 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 174.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 30' ' ' THR . 29.6 ptt180 -112.24 143.75 42.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.296 0.57 . . . . 0.0 110.294 -176.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.0 t -114.74 120.26 63.88 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.638 -173.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -114.92 -8.88 12.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.554 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.503 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -149.17 150.4 32.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.863 0.363 . . . . 0.0 111.223 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.8 mt -121.1 156.62 31.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.193 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -163.38 132.33 3.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.36 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -71.96 137.24 47.18 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 174.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.824 ' HB1' ' HB3' ' A' ' 63' ' ' ASP . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 123.742 0.651 . . . . 0.0 112.552 -171.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.824 ' HB3' ' HB1' ' A' ' 45' ' ' ALA . 5.1 m-20 . . . . . 0 C--O 1.235 0.319 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -68.62 -42.65 77.78 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.41 -175.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.6 mtp85 -56.75 -39.77 74.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.636 0.255 . . . . 0.0 111.676 -175.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.88 -36.08 67.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.966 0.412 . . . . 0.0 111.237 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.23 -39.29 78.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.24 -40.2 95.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.738 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.22 -48.59 64.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.833 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.0 -34.08 74.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.114 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.563 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -61.03 -51.39 69.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.883 0.373 . . . . 0.0 110.462 176.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -64.17 -33.03 74.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.489 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -57.95 -43.73 86.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.061 0.458 . . . . 0.0 111.92 174.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -84.63 -12.21 54.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.843 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.72 33.0 31.75 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.81 -0.71 . . . . 0.0 111.441 -176.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.473 HD13 ' HA2' ' A' ' 29' ' ' GLY . 81.4 mt -125.52 -176.57 3.63 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.355 -0.422 . . . . 0.0 110.038 -177.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -136.63 177.45 7.84 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 174.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 42.8 t -85.3 111.07 20.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.432 -178.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.9 m -98.89 -10.28 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.494 -176.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.418 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -177.57 178.7 48.37 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.264 -179.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.6 t -135.48 154.53 35.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.596 ' HB3' ' HB ' ' A' ' 108' ' ' VAL . 54.0 p90 -142.35 140.2 32.02 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.086 0.469 . . . . 0.0 110.624 178.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -145.8 153.94 41.46 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.9 m -102.1 155.69 18.03 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 120.868 0.366 . . . . 0.0 110.689 -170.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.459 ' HB3' ' HB2' ' A' ' 88' ' ' HIS . 19.9 m170 -110.59 89.21 8.66 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.73 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.437 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 17.0 Cg_endo -58.86 120.8 8.89 Favored 'Trans proline' 0 C--O 1.237 0.473 0 C-N-CA 121.947 1.765 . . . . 0.0 111.071 174.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.437 ' HB3' ' O ' ' A' ' 86' ' ' PRO . 27.1 t70 76.41 -38.48 0.33 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.647 0.779 . . . . 0.0 111.863 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.459 ' HB2' ' HB3' ' A' ' 85' ' ' HIS . 29.3 m80 -78.92 154.6 77.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 120.71 0.29 . . . . 0.0 110.575 177.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 88' ' ' HIS . 3.6 Cg_exo -82.18 -174.14 2.0 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.719 2.28 . . . . 0.0 112.04 176.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.1 -165.89 0.14 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.156 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.403 ' HG2' ' HZ2' ' A' ' 123' ' ' TRP . 54.6 mtt85 66.64 144.43 0.09 OUTLIER Pre-proline 0 CA--C 1.532 0.279 0 C-N-CA 123.241 0.616 . . . . 0.0 110.796 -176.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.66 125.65 13.58 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.494 2.129 . . . . 0.0 112.452 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.1 m -84.52 -177.86 6.73 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.935 175.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.33 83.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.734 0.302 . . . . 0.0 111.054 -178.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.8 m -64.02 -38.48 91.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.173 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.07 -42.96 99.47 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.922 0.391 . . . . 0.0 110.363 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.8 tt -68.96 -43.41 75.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.014 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -62.43 -39.1 92.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.23 -177.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -98.3 17.44 18.74 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.717 -177.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.505 ' HB1' HD22 ' A' ' 125' ' ' LEU . . . -85.31 78.93 9.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 109.603 173.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.4 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 4.5 m -83.35 -26.38 30.57 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.315 -0.857 . . . . 0.0 112.177 -172.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -120.32 88.7 42.46 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -169.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 101' ' ' THR . 13.5 Cg_exo -67.97 -178.92 1.86 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.822 2.348 . . . . 0.0 111.978 177.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 91.11 -40.66 2.95 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.686 -177.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.418 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 95.8 m-85 -77.69 152.81 33.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.684 0.278 . . . . 0.0 110.268 176.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.7 m -91.33 123.67 34.94 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 176.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.423 ' CD2' ' HE2' ' A' ' 132' ' ' PHE . 82.4 m-85 -93.07 117.0 29.57 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.185 -179.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.596 ' HB ' ' HB3' ' A' ' 82' ' ' TYR . 97.6 t -103.52 120.71 53.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.193 0.52 . . . . 0.0 110.516 177.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 29.9 mm -110.52 117.77 55.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.496 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.489 ' HA ' ' HA ' ' A' ' 120' ' ' LEU . 6.5 p -112.55 134.22 55.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.425 0.631 . . . . 0.0 111.017 -178.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.777 ' HB2' ' HB3' ' A' ' 118' ' ' GLU . 49.7 m -81.0 118.02 22.11 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.551 177.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 55.9 t -121.12 115.12 45.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 174.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.3 ttt85 -117.86 75.0 0.97 Allowed 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 120.573 -0.451 . . . . 0.0 109.892 -175.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.633 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 19.0 t70 48.69 86.89 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 114.669 -1.15 . . . . 0.0 112.087 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.531 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 82.0 -37.64 2.53 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.702 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -104.7 104.5 46.13 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 121.002 0.429 . . . . 0.0 112.025 -176.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.531 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 3.3 Cg_exo -78.07 127.57 8.55 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 122.928 2.419 . . . . 0.0 111.277 172.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.777 ' HB3' ' HB2' ' A' ' 111' ' ' SER . 31.8 tt0 -73.61 -77.05 0.11 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.022 0.439 . . . . 0.0 110.387 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -154.22 159.72 41.48 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.101 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.571 HD13 ' H ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -111.35 136.92 49.79 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 175.232 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 25.7 p -122.04 138.17 54.54 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.508 -177.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.04 136.97 47.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.922 0.392 . . . . 0.0 110.142 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.403 ' HZ2' ' HG2' ' A' ' 91' ' ' ARG . 77.3 m95 -135.31 145.16 47.21 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.283 -174.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -109.86 127.89 54.99 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.657 174.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.505 HD22 ' HB1' ' A' ' 100' ' ' ALA . 61.6 tp -85.26 130.26 34.64 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.02 135.75 95.31 Favored Pre-proline 0 N--CA 1.449 -0.501 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 174.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -58.04 -22.56 56.09 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.907 2.405 . . . . 0.0 112.636 -176.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -83.09 -4.51 58.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.215 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? 63.87 24.1 13.6 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.532 0.52 . . . . 0.0 110.554 -176.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 20.2 p -72.27 -50.97 23.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.636 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -163.8 -178.02 5.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.323 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.423 ' HE2' ' CD2' ' A' ' 107' ' ' TYR . 72.3 m-85 -106.2 154.19 21.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.169 173.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -123.31 142.4 50.99 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -69.86 137.89 52.08 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.769 -175.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -114.06 149.56 35.29 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.016 175.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -107.26 148.75 28.56 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 121.409 0.623 . . . . 0.0 111.467 -176.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.541 HG21 HD11 ' A' ' 8' ' ' LEU . 45.7 mm -92.4 113.33 27.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.235 174.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 0.5 OUTLIER -130.96 155.48 41.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -178.585 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 54.5 mtm180 -88.73 127.76 55.03 Favored Pre-proline 0 C--N 1.317 -0.835 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.862 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -64.56 173.86 5.02 Favored 'Trans proline' 0 C--O 1.238 0.489 0 C-N-CA 122.945 2.43 . . . . 0.0 112.696 -177.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.854 179.514 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.5 ttt . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 120.587 0.232 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.73 ' HB3' ' HG3' ' A' ' 140' ' ' PRO . 13.7 mptt -93.61 137.82 32.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.081 174.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.474 HG22 HG23 ' A' ' 137' ' ' ILE . 13.5 t -158.19 174.01 15.83 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 174.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.7 p -123.74 156.65 64.7 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.957 -177.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -51.58 -33.3 47.69 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.468 2.779 . . . . 0.0 112.483 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.489 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 3.8 m-20 -56.65 -49.55 74.72 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.479 178.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.543 ' O ' HG13 ' A' ' 11' ' ' ILE . 50.9 mm -66.67 -45.41 88.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.462 -177.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.464 HD11 HG21 ' A' ' 137' ' ' ILE . 98.2 mt -59.37 -42.33 91.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.384 -178.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -69.21 -41.35 77.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.543 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 49.2 mt-30 -57.75 -38.35 75.22 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.2 177.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 7' ' ' ILE . 78.9 mt -60.14 -41.26 86.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.767 0.318 . . . . 0.0 110.531 177.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.608 ' HG2' HD11 ' A' ' 120' ' ' LEU . 57.4 mtm180 -65.16 -49.69 68.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.651 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.9 t -66.29 -49.1 78.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.039 -176.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -67.47 -27.84 67.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.253 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.16 -49.52 52.47 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.002 176.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.41 -29.83 67.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.167 0.508 . . . . 0.0 110.445 177.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -60.0 -37.82 80.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.985 175.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.09 -43.75 77.81 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.33 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -58.64 145.67 76.57 Favored Pre-proline 0 N--CA 1.465 0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.206 -177.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -80.38 -3.45 42.03 Favored 'Cis proline' 0 CA--C 1.535 0.542 0 C-N-CA 123.859 -1.309 . . . . 0.0 113.75 4.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -80.95 176.4 9.85 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.56 139.24 32.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.223 0.535 . . . . 0.0 111.586 -174.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.8 -82.08 1.02 Allowed Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.731 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.492 ' O ' ' HA ' ' A' ' 44' ' ' ARG . 26.2 p 47.03 -166.42 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.915 0.886 . . . . 0.0 112.784 178.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 137.71 -152.53 21.71 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.357 -0.925 . . . . 0.0 112.742 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -120.37 166.71 13.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.912 0.387 . . . . 0.0 111.14 -173.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.409 HD13 HG21 ' A' ' 39' ' ' VAL . 64.4 mt -111.29 130.53 55.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.406 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.546 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 60.3 mt -114.47 144.95 42.51 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.556 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . 179.16 -162.37 29.19 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 119.691 -1.242 . . . . 0.0 113.093 179.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.5 p -110.16 158.63 18.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.341 -0.43 . . . . 0.0 110.681 -178.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.1 t -91.68 119.83 39.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 172.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.5 m -89.26 -47.66 7.9 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.586 0.708 . . . . 0.0 111.738 -166.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.45 ' HB2' ' H ' ' A' ' 36' ' ' ASP . 4.9 m-20 -101.22 2.69 40.21 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.184 -174.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.1 t70 61.98 28.48 17.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 122.797 1.284 . . . . 0.0 108.171 -170.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.25 -32.54 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 113.39 -1.732 . . . . 0.0 110.72 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.45 ' H ' ' HB2' ' A' ' 33' ' ' ASP . 43.4 t0 -112.42 153.93 26.59 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 174.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.455 ' HB2' ' HB ' ' A' ' 79' ' ' VAL . 28.3 p30 -109.39 150.88 27.41 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.874 -171.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.556 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 77.3 ttt180 -116.61 137.78 51.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.018 172.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.409 HG21 HD13 ' A' ' 27' ' ' LEU . 60.9 t -98.69 114.54 36.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.47 -10.63 8.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.254 -176.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.546 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -143.04 142.77 31.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.171 179.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.2 mt -108.89 141.55 40.79 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.576 -178.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -118.78 120.0 36.07 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 173.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.492 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 56.4 mtp180 -90.71 137.58 32.25 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 173.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 123.237 0.336 . . . . 0.0 111.14 -176.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.48 ' HA ' ' HB3' ' A' ' 66' ' ' ALA . 2.1 p-10 . . . . . 0 N--CA 1.462 0.14 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -69.19 -48.07 63.12 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 172.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -36.75 84.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.882 174.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.48 ' HB3' ' HA ' ' A' ' 63' ' ' ASP . . . -68.82 -33.65 74.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.056 178.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.91 -41.52 78.07 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 120.944 0.402 . . . . 0.0 110.05 178.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -65.83 -43.32 88.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.753 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.523 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -60.99 -53.89 51.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.855 178.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.35 -36.03 77.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.938 0.399 . . . . 0.0 111.094 -178.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.526 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -63.8 -51.31 65.33 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.798 175.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -59.34 -41.88 90.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.419 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 75.3 mm-40 -55.87 -40.1 72.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.843 176.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -87.37 -7.15 58.07 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.15 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.08 27.69 36.47 Favored Glycine 0 N--CA 1.454 -0.125 0 C-N-CA 120.577 -0.821 . . . . 0.0 111.951 -178.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.3 mt -120.06 -173.16 2.49 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -152.5 177.39 10.68 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 169.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.0 t -78.97 110.5 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.901 0.381 . . . . 0.0 110.185 -177.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.455 ' HB ' ' HB2' ' A' ' 37' ' ' ASN . 27.4 m -99.3 -24.41 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.803 -175.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.454 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -165.38 -171.37 31.51 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 119.924 -1.132 . . . . 0.0 113.213 -177.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.8 t -137.58 159.65 34.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -139.22 136.34 34.88 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.234 0.54 . . . . 0.0 110.361 176.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -128.79 138.34 52.02 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.354 -176.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.9 m -105.24 155.86 18.66 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.909 0.385 . . . . 0.0 110.685 -174.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.455 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 60.1 m80 -131.97 143.08 47.53 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 175.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.614 ' O ' ' HA ' ' A' ' 113' ' ' ARG . 6.3 Cg_exo -80.13 -15.33 11.66 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.001 2.467 . . . . 0.0 112.971 -177.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -172.7 102.84 0.14 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.192 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.425 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 0.1 OUTLIER -176.62 149.72 0.91 Allowed Pre-proline 0 N--CA 1.466 0.358 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 177.507 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 88' ' ' HIS . 6.1 Cg_exo -75.59 62.14 6.26 Favored 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 122.552 2.168 . . . . 0.0 113.111 -178.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 46.72 30.25 1.13 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.406 1.082 . . . . 0.0 113.072 176.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.46 ' HB2' ' HD2' ' A' ' 92' ' ' PRO . 14.0 ptp180 -123.3 159.02 56.56 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.46 ' HD2' ' HB2' ' A' ' 91' ' ' ARG . 57.6 Cg_endo -70.67 155.06 63.69 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.643 2.229 . . . . 0.0 112.381 178.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.8 m -109.24 178.5 4.43 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 176.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.76 -43.73 72.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.009 0.433 . . . . 0.0 111.014 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 41.2 m -62.17 -38.64 89.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.666 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -62.44 -40.92 98.14 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.851 0.357 . . . . 0.0 110.336 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -68.5 -44.23 75.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.928 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -63.73 -33.03 74.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.081 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -88.88 -2.43 58.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.393 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.15 78.79 6.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.405 0.622 . . . . 0.0 110.705 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.3 m -110.01 0.62 18.56 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.462 0.649 . . . . 0.0 110.571 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -119.19 86.84 33.52 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.195 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -74.13 156.7 46.9 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.235 1.957 . . . . 0.0 111.834 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 120.98 -25.71 7.03 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.197 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.454 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 94.2 m-85 -100.6 154.56 18.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.874 0.369 . . . . 0.0 110.897 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 21.9 m -91.32 135.94 33.45 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 175.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -105.19 111.53 24.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.682 0.277 . . . . 0.0 110.753 -176.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 84.7 t -96.32 126.24 49.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.226 0.536 . . . . 0.0 110.402 176.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.4 mt -114.02 125.9 71.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.705 -178.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.609 HG23 ' HG ' ' A' ' 120' ' ' LEU . 5.6 p -116.11 128.82 73.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.648 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.6 m -88.49 107.65 18.99 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.926 176.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 86' ' ' PRO . 47.3 t -120.77 113.8 41.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 172.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.614 ' HA ' ' O ' ' A' ' 86' ' ' PRO . 41.9 mtt180 -97.23 95.98 8.1 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.641 -173.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 22.3 t70 60.85 21.84 11.96 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.965 176.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 121.11 -11.64 9.9 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.453 -0.879 . . . . 0.0 112.738 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -102.69 109.79 61.74 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.88 0.34 . . . . 0.0 111.057 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -73.92 122.13 7.47 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.53 2.153 . . . . 0.0 112.168 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -103.51 -75.9 0.6 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.557 -175.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -126.91 142.59 51.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.21 0.528 . . . . 0.0 111.63 -173.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.609 ' HG ' HG23 ' A' ' 110' ' ' VAL . 6.6 mp -119.7 138.35 53.35 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.402 176.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.691 HG21 HH11 ' A' ' 134' ' ' ARG . 3.9 m -150.12 156.65 42.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.856 0.36 . . . . 0.0 110.268 177.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -112.15 141.8 45.4 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.802 177.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -126.61 138.66 53.47 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.342 -176.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.33 130.08 52.19 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.331 176.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 47.5 tp -80.06 135.33 36.32 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.433 ' HB3' ' H ' ' A' ' 131' ' ' GLU . . . -55.41 142.52 59.81 Favored Pre-proline 0 C--N 1.328 -0.356 0 O-C-N 123.502 0.501 . . . . 0.0 109.903 177.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -27.98 -54.48 0.13 Allowed 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 124.963 3.775 . . . . 0.0 115.034 -172.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -125.82 69.78 1.19 Allowed 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.262 -0.575 . . . . 0.0 111.954 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 55.1 mtm180 58.18 32.08 21.57 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.858 166.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 15.5 m -84.81 -51.17 6.96 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.576 -176.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.433 ' H ' ' HB3' ' A' ' 126' ' ' ALA . 10.6 pt-20 -166.21 -178.61 4.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.43 -176.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -108.05 144.58 35.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.384 178.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -124.84 146.04 49.48 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.552 175.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.691 HH11 HG21 ' A' ' 121' ' ' THR . 10.7 tpp180 -69.59 137.04 51.99 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.114 -179.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -131.67 149.12 52.6 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.926 0.393 . . . . 0.0 110.021 178.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -93.42 157.5 16.19 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.506 -176.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.474 HG23 HG22 ' A' ' 3' ' ' THR . 2.4 mp -93.12 113.8 28.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.728 177.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.481 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 11.6 m -110.29 151.42 12.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.237 0.541 . . . . 0.0 110.714 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.51 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 86.1 mtt180 -106.12 137.81 19.49 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.625 -174.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.73 ' HG3' ' HB3' ' A' ' 2' ' ' LYS . 12.0 Cg_exo -69.77 135.46 30.48 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.882 2.388 . . . . 0.0 112.156 179.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.344 178.242 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ttt . . . . . 0 N--CA 1.477 0.903 0 CA-C-O 120.71 0.291 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.488 ' HB3' ' HG3' ' A' ' 140' ' ' PRO . 12.4 mptt -111.04 135.73 51.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.132 173.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.1 t -157.79 164.34 37.13 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 175.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.0 p -99.07 152.42 37.78 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-O 120.862 0.363 . . . . 0.0 111.24 -176.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -57.15 -33.57 96.12 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.385 2.723 . . . . 0.0 113.192 -177.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.404 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 4.1 p-10 -65.38 -33.15 75.28 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.571 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.583 ' O ' HG13 ' A' ' 11' ' ' ILE . 47.1 mm -70.11 -45.67 75.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 177.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.2 mt -58.85 -41.21 86.46 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.754 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -61.3 -47.17 87.19 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.419 175.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 27.7 mt-30 -61.66 -30.63 70.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.58 177.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.583 HG13 ' O ' ' A' ' 7' ' ' ILE . 75.0 mt -65.41 -49.91 75.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 C-N-CA 121.213 -0.195 . . . . 0.0 111.083 178.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -64.78 -38.36 90.74 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 120.83 0.347 . . . . 0.0 110.952 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.6 t -66.16 -42.98 92.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.332 176.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -56.09 -34.59 66.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.279 177.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.06 -50.1 59.17 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.66 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.56 -35.9 63.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.734 0.302 . . . . 0.0 111.495 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -68.96 -35.26 76.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.323 -175.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.97 -29.02 60.79 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.908 -178.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -66.47 158.47 78.3 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.11 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -72.74 -3.46 13.28 Favored 'Cis proline' 0 C--N 1.351 0.683 0 C-N-CA 124.541 -1.025 . . . . 0.0 113.987 5.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -75.16 169.9 17.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.892 0.377 . . . . 0.0 111.015 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -91.09 128.68 37.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.097 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -126.21 54.14 0.77 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.417 -0.897 . . . . 0.0 113.332 -177.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.6 p -84.05 -178.14 6.88 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 175.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 165.11 -162.93 36.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.343 -0.932 . . . . 0.0 112.866 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.733 ' HB2' ' HE1' ' A' ' 43' ' ' HIS . 10.6 m-85 -116.75 161.2 19.62 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 -178.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.45 HD22 HG11 ' A' ' 39' ' ' VAL . 80.6 mt -97.31 133.77 41.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.845 -177.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.537 HD22 ' HB2' ' A' ' 71' ' ' ALA . 77.7 mt -112.39 136.09 52.29 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.06 -152.37 9.82 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.043 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.91 158.76 43.62 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 120.634 0.254 . . . . 0.0 111.114 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -94.79 131.27 42.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.909 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 47.1 p -86.23 164.07 17.39 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.566 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -65.01 -13.9 59.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.658 0.266 . . . . 0.0 111.652 -177.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -78.0 -12.41 59.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.921 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.1 18.3 56.05 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.331 -174.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -117.21 161.17 19.9 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.6 p30 -105.59 147.63 28.2 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.823 0.821 . . . . 0.0 112.364 -172.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -116.2 110.08 18.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.948 -1.023 . . . . 0.0 109.58 174.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.45 HG11 HD22 ' A' ' 27' ' ' LEU . 57.9 t -83.85 118.42 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.08 -20.27 7.49 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -174.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.516 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -138.92 143.61 38.73 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.203 0.525 . . . . 0.0 111.91 -176.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.4 mt -116.44 155.7 28.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.791 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.733 ' HE1' ' HB2' ' A' ' 26' ' ' PHE . 32.7 p-80 -149.09 159.88 43.84 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.755 0.312 . . . . 0.0 110.322 173.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.2 mtm-85 -87.66 137.85 31.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.742 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.2 0 O-C-N 123.408 0.442 . . . . 0.0 110.497 177.878 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.7 t70 . . . . . 0 N--CA 1.464 0.231 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -55.39 -42.73 74.4 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.287 -177.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 62.2 mtt85 -66.98 -38.54 86.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.874 0.369 . . . . 0.0 111.541 -178.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.57 -41.7 75.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.297 176.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.64 -39.91 95.36 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.509 176.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -58.4 -44.86 89.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.753 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.06 -50.97 60.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.096 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.57 -35.44 80.49 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.339 -177.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.537 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -62.86 -51.93 65.09 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 177.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -40.14 82.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.571 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -56.46 -43.15 79.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.62 175.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -84.64 -2.02 56.88 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.2 -176.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.67 25.88 61.97 Favored Glycine 0 N--CA 1.454 -0.124 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.74 -178.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.4 mt -124.64 -178.67 4.21 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -144.23 170.18 16.47 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 173.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.6 t -80.3 110.59 16.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.2 m -106.22 -5.6 10.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.241 -0.436 . . . . 0.0 112.075 -174.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.496 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -178.18 -173.52 43.65 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.023 -1.084 . . . . 0.0 113.2 -179.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.443 ' HA ' ' HA ' ' A' ' 26' ' ' PHE . 3.4 t -137.55 158.64 34.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 -179.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -141.16 135.9 31.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.257 0.551 . . . . 0.0 110.937 176.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -148.18 153.0 38.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.81 177.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.416 ' HB3' HG13 ' A' ' 110' ' ' VAL . 9.6 p -103.96 156.33 17.94 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.995 0.426 . . . . 0.0 110.962 -174.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -120.43 88.56 42.67 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.473 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -76.99 -6.77 16.97 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.088 1.858 . . . . 0.0 111.43 173.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -89.86 -38.31 13.82 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.605 -1.179 . . . . 0.0 110.877 -177.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.448 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 68.8 m80 -139.81 143.57 35.29 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.863 -179.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 88' ' ' HIS . 18.8 Cg_exo -67.73 97.62 0.47 Allowed 'Trans proline' 0 C--O 1.238 0.477 0 C-N-CA 122.565 2.177 . . . . 0.0 112.13 178.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 65.57 -175.55 0.18 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.719 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.52 155.12 0.06 OUTLIER Pre-proline 0 N--CA 1.479 0.986 0 C-N-CA 125.195 1.398 . . . . 0.0 113.744 178.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -84.66 151.85 11.59 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.544 2.163 . . . . 0.0 113.057 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.5 m -104.05 -175.44 2.8 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.701 176.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.669 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -64.43 -49.25 72.24 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -174.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.418 ' HA ' ' OE1' ' A' ' 98' ' ' GLU . 26.4 m -73.84 -32.1 63.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.155 0.502 . . . . 0.0 110.338 -178.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.08 -38.02 81.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.729 175.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.3 tt -70.09 -39.75 75.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.456 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.669 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 49.2 mt-10 -60.81 -39.02 87.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.433 -176.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -80.04 -11.51 59.77 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.131 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.15 99.49 5.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.248 0.547 . . . . 0.0 110.044 176.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.478 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 3.5 m -131.08 29.09 4.72 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.602 0.715 . . . . 0.0 110.076 -177.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.432 ' HB3' ' CD1' ' A' ' 105' ' ' PHE . 65.4 m-85 -114.57 86.15 12.21 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.306 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.478 ' HD3' ' O ' ' A' ' 101' ' ' THR . 16.9 Cg_exo -67.84 125.31 12.99 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.665 2.244 . . . . 0.0 112.014 -179.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.46 -10.15 49.72 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.682 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.496 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 13.2 m-85 -96.46 138.57 33.85 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 86.9 m -92.62 130.86 38.13 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.486 ' CD2' ' HE1' ' A' ' 132' ' ' PHE . 98.8 m-85 -100.43 113.62 26.53 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.01 0.433 . . . . 0.0 110.432 -177.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 90.5 t -95.33 119.61 43.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.45 0.643 . . . . 0.0 109.324 175.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 78.9 mt -110.2 118.43 57.0 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.124 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.771 -178.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.416 HG13 ' HB3' ' A' ' 84' ' ' SER . 5.0 p -103.66 129.31 55.89 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.323 178.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.515 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 13.2 t -81.54 105.24 12.55 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 60.3 t -122.68 114.2 41.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 176.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -94.67 73.85 3.68 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 121.589 0.709 . . . . 0.0 109.7 -175.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.7 t70 52.7 62.78 2.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 113.825 -1.534 . . . . 0.0 110.944 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.423 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 105.64 -27.0 19.54 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.458 177.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.4 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . . . -93.57 109.93 43.94 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 111.525 0.194 . . . . 0.0 111.525 -177.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 4.2 Cg_exo -74.56 111.35 3.29 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.997 2.465 . . . . 0.0 111.576 177.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.515 ' HB3' ' HB3' ' A' ' 111' ' ' SER . 45.0 tt0 -91.03 -71.0 0.65 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 -176.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -152.7 158.82 42.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.114 0.483 . . . . 0.0 111.814 -176.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 39.6 mt -102.91 138.89 39.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.392 176.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.7 p -139.66 131.0 26.78 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 176.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.54 135.36 50.66 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.861 0.363 . . . . 0.0 110.269 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -130.21 136.98 49.82 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.023 -173.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.79 135.56 45.94 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.696 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 60.4 tp -89.18 138.77 31.13 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.151 -177.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.75 138.74 97.0 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 174.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.98 -24.45 76.47 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.907 2.404 . . . . 0.0 112.634 -176.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -84.66 -8.28 58.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.75 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.515 ' NH2' ' HA ' ' A' ' 98' ' ' GLU . 2.0 tmt_? 62.33 81.69 0.19 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.467 -176.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 24.8 p -137.25 -57.51 0.71 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.541 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -140.52 177.89 7.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.334 0.588 . . . . 0.0 110.677 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.486 ' HE1' ' CD2' ' A' ' 107' ' ' TYR . 89.0 m-85 -112.27 145.5 39.86 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.351 175.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -124.1 136.52 54.29 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.069 0.462 . . . . 0.0 110.55 175.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 134' ' ' ARG . 9.3 tpt180 -57.59 138.47 55.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.12 -177.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -124.7 161.8 25.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.693 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -102.04 148.1 25.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.088 0.471 . . . . 0.0 111.56 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 49.4 mm -97.82 115.07 36.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.275 176.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 1.4 t -120.68 155.01 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.201 0.524 . . . . 0.0 110.503 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.426 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 56.8 mtm180 -96.88 137.87 21.34 Favored Pre-proline 0 C--N 1.316 -0.884 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.786 178.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.488 ' HG3' ' HB3' ' A' ' 2' ' ' LYS . 16.5 Cg_exo -66.76 109.28 1.62 Allowed 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.817 2.344 . . . . 0.0 113.007 -177.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 . . . . . 0 C--N 1.33 -0.275 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 172.142 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ttt . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.739 0.305 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.515 ' HD2' HG23 ' A' ' 138' ' ' VAL . 0.1 OUTLIER -107.35 137.21 45.82 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 178.892 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.9 t -153.86 173.04 16.44 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.507 -176.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.455 ' HB ' ' HD2' ' A' ' 5' ' ' PRO . 40.0 p -120.04 163.8 26.05 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.918 -177.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.455 ' HD2' ' HB ' ' A' ' 4' ' ' THR . 32.6 Cg_exo -56.44 -34.53 94.86 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.123 2.549 . . . . 0.0 111.81 177.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -54.03 -46.1 71.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.971 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.465 ' O ' HG13 ' A' ' 11' ' ' ILE . 48.6 mm -75.65 -42.54 41.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.648 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.3 mt -56.39 -43.21 79.07 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.548 -178.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.431 ' O ' HG23 ' A' ' 13' ' ' VAL . 9.5 t70 -63.29 -45.37 91.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.734 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -60.74 -41.94 96.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.533 177.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 7' ' ' ILE . 83.6 mt -59.42 -50.08 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.134 0 CA-C-N 116.735 -0.211 . . . . 0.0 111.219 -179.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -66.11 -33.08 74.97 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.258 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 9' ' ' ASP . 73.5 t -69.05 -47.27 76.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.913 0.387 . . . . 0.0 110.356 176.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -65.74 -27.66 68.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.045 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.01 -45.04 96.93 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.991 173.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.9 -33.48 66.04 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.281 0.562 . . . . 0.0 110.619 177.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -61.7 -36.36 80.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.085 175.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.24 26.95 1.3 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.744 -1.117 . . . . 0.0 111.82 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.576 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -103.69 147.74 34.71 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 176.511 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.576 ' HA ' ' CG ' ' A' ' 19' ' ' TYR . 11.5 Cg_exo -71.09 -20.8 11.97 Favored 'Cis proline' 0 C--N 1.351 0.671 0 C-N-CA 123.984 -1.257 . . . . 0.0 113.404 2.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -167.79 175.02 7.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.553 0.216 . . . . 0.0 111.036 176.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 70.05 129.67 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 O-C-N 124.283 0.99 . . . . 0.0 111.09 -175.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.5 0.94 2.26 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -175.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.3 m -65.9 150.85 47.94 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.91 -164.53 14.5 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.941 -177.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -107.89 152.56 24.25 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.972 0.415 . . . . 0.0 110.989 -174.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.0 mt -94.35 126.75 39.8 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.678 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.5 mt -104.58 131.49 51.93 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.144 0.497 . . . . 0.0 110.227 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . -177.25 -159.41 22.36 Favored Glycine 0 N--CA 1.441 -1.008 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.84 150.55 48.36 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.987 0.422 . . . . 0.0 111.584 179.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.689 HG12 ' H ' ' A' ' 33' ' ' ASP . 59.7 t -89.73 134.2 29.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 174.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 33' ' ' ASP . 30.2 p -87.35 3.08 48.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.972 0.415 . . . . 0.0 111.954 -173.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.689 ' H ' HG12 ' A' ' 31' ' ' VAL . 38.1 m-20 73.68 -11.54 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 123.941 0.896 . . . . 0.0 111.942 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -69.74 -22.07 63.4 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.435 0.635 . . . . 0.0 109.48 174.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.56 -14.47 8.14 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.97 -176.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -97.86 167.93 10.62 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 120.876 0.37 . . . . 0.0 110.029 -178.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.527 HD22 ' HB ' ' A' ' 79' ' ' VAL . 20.3 p-10 -132.53 128.9 38.29 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.177 -177.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.403 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 20.4 ptt180 -105.76 143.39 33.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.271 0.557 . . . . 0.0 110.099 -178.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.6 t -101.98 123.32 55.11 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.985 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.52 -30.22 7.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.538 -176.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -148.04 169.59 19.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.991 0.424 . . . . 0.0 110.835 -178.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.6 mt -121.16 147.43 45.59 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.356 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -118.12 122.09 42.19 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.001 0.429 . . . . 0.0 109.997 174.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.1 mtt180 -96.12 137.63 34.91 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.276 -178.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.386 0 CA-C-O 121.28 0.562 . . . . 0.0 110.436 177.171 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.3 t70 . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 120.615 0.245 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -66.61 -44.88 80.92 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.416 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -59.74 -36.87 77.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.275 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.24 -36.92 74.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.638 177.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.92 -40.7 87.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.094 0.473 . . . . 0.0 109.918 176.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -58.6 -46.24 87.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.06 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.55 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -59.56 -53.67 55.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.941 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.81 -33.43 75.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.96 0.41 . . . . 0.0 110.82 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.02 -49.47 72.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.866 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 3.5 pt20 -68.49 -32.07 71.79 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.51 -179.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 48.6 mt-10 -61.64 -43.82 98.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.181 0.515 . . . . 0.0 111.18 175.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -83.13 -26.3 31.11 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.06 -177.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.57 33.23 7.23 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.367 -176.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.2 mt -121.47 174.65 6.63 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -132.79 173.83 10.96 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.2 t -84.6 102.65 10.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -178.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.527 ' HB ' HD22 ' A' ' 37' ' ' ASN . 29.9 m -87.51 -9.82 10.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.624 -176.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.428 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . 168.19 -169.06 41.25 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.178 -1.01 . . . . 0.0 112.924 179.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.9 t -136.32 151.38 28.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -178.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -123.66 143.38 50.29 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.581 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -133.22 149.68 51.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.918 -175.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.2 m -105.64 128.81 53.85 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.246 178.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -110.54 150.49 41.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.87 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.83 -162.82 0.05 OUTLIER 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 123.509 2.806 . . . . 0.0 112.843 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -73.34 49.31 0.27 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.726 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 11.6 m80 -147.58 165.73 17.94 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.016 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -45.49 147.19 2.85 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 123.48 2.787 . . . . 0.0 114.174 -176.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.14 14.27 11.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.698 -176.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -77.58 147.82 75.67 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 175.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -59.87 127.52 23.7 Favored 'Trans proline' 0 N--CA 1.463 -0.266 0 C-N-CA 122.839 2.359 . . . . 0.0 112.508 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.8 t -82.24 -173.16 4.38 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 175.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.75 -42.56 89.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.756 0.313 . . . . 0.0 110.549 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.6 m -69.63 -41.9 75.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.189 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.04 -41.54 88.09 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 176.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.67 -45.74 88.76 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.992 177.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.22 -30.5 69.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.584 -0.734 . . . . 0.0 112.02 -176.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -82.7 -16.2 49.02 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.917 0.339 . . . . 0.0 111.917 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.453 ' HB1' HD22 ' A' ' 125' ' ' LEU . . . -77.13 78.4 3.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.239 0.542 . . . . 0.0 110.691 178.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.3 m -105.69 -17.33 14.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.965 -179.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -109.41 88.79 6.46 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.183 0.516 . . . . 0.0 111.768 -174.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -71.96 162.23 42.47 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.597 2.198 . . . . 0.0 112.091 -177.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 106.77 -13.19 42.07 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.066 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.428 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 97.0 m-85 -109.55 148.19 31.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.858 0.361 . . . . 0.0 110.512 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.1 m -92.25 125.15 36.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.012 177.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -97.27 108.85 21.66 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.445 ' HA ' ' HA ' ' A' ' 122' ' ' ALA . 60.0 t -96.83 114.98 35.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 177.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.5 mt -113.71 128.69 70.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.999 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.3 p -109.61 135.87 47.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.054 0.454 . . . . 0.0 111.153 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.8 m -90.49 109.84 20.97 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.531 175.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 31.2 t -105.78 117.05 50.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.869 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 113' ' ' ARG . 20.2 mtp180 -98.02 91.02 5.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.191 -176.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.536 ' HA ' ' HE2' ' A' ' 19' ' ' TYR . 38.4 t70 70.7 -12.54 0.54 Allowed 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.865 177.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.416 ' H ' ' C ' ' A' ' 113' ' ' ARG . . . 151.06 -20.56 0.97 Allowed Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 110.374 -1.09 . . . . 0.0 110.374 -177.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -96.91 108.99 46.8 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.342 -0.429 . . . . 0.0 110.787 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -71.26 117.01 4.93 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.655 2.237 . . . . 0.0 111.344 177.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.405 ' OE1' ' HD2' ' A' ' 113' ' ' ARG . 88.5 tt0 -75.37 -64.15 1.13 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.008 0.432 . . . . 0.0 109.963 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -149.94 156.56 41.95 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.344 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.553 HD13 ' H ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -119.5 139.94 51.29 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 175.391 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 22.5 p -124.72 145.72 49.54 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.87 -177.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.445 ' HA ' ' HA ' ' A' ' 108' ' ' VAL . . . -109.06 148.49 30.73 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.514 ' HB3' ' HD2' ' A' ' 132' ' ' PHE . 85.6 m95 -136.35 134.9 38.36 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.319 -174.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -105.22 126.69 52.37 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.182 174.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.453 HD22 ' HB1' ' A' ' 100' ' ' ALA . 57.1 tp -81.53 133.11 35.34 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.022 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.57 135.97 94.3 Favored Pre-proline 0 N--CA 1.45 -0.448 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 174.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -51.48 -33.59 47.98 Favored 'Trans proline' 0 N--CA 1.474 0.325 0 C-N-CA 123.148 2.565 . . . . 0.0 113.152 -174.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -84.68 6.61 23.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.538 -176.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? 64.05 19.11 11.61 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.496 0.498 . . . . 0.0 110.437 -176.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.4 p -72.59 -49.97 28.66 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.28 -173.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -154.08 179.85 8.54 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.091 0.472 . . . . 0.0 111.055 -175.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.514 ' HD2' ' HB3' ' A' ' 123' ' ' TRP . 11.6 m-85 -108.37 147.29 31.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.611 175.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -124.55 140.05 53.3 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 173.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -82.1 144.26 30.91 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 121.475 0.655 . . . . 0.0 112.054 -172.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -124.68 153.98 41.49 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.692 -1.14 . . . . 0.0 108.433 175.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -122.75 179.43 4.63 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 -177.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 49.6 mm -93.5 114.06 29.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.085 0.469 . . . . 0.0 110.061 -178.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.515 HG23 ' HD2' ' A' ' 2' ' ' LYS . 0.2 OUTLIER -125.47 142.5 42.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.33 -179.043 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 57.5 mtp85 -79.56 148.23 69.29 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.2 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.435 ' HG3' ' HB3' ' A' ' 2' ' ' LYS . 4.9 Cg_exo -74.17 94.17 0.9 Allowed 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 122.296 1.997 . . . . 0.0 110.523 169.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 12.0 t70 . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.277 -177.293 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ttt . . . . . 0 N--CA 1.479 1.0 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.534 ' HA ' ' O ' ' A' ' 138' ' ' VAL . 4.5 mptp? -106.26 117.88 35.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.723 0.297 . . . . 0.0 110.918 177.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.8 t -161.03 173.83 14.65 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 174.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.0 p -102.37 148.08 34.92 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.621 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.03 -29.09 63.29 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.499 2.799 . . . . 0.0 112.85 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -55.27 -43.95 75.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.864 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.517 ' O ' HG13 ' A' ' 11' ' ' ILE . 49.5 mm -67.91 -42.0 85.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.422 179.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.575 HD21 HG12 ' A' ' 137' ' ' ILE . 92.7 mt -57.46 -41.71 81.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.772 178.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.681 ' HA ' HH11 ' A' ' 12' ' ' ARG . 15.5 t70 -64.11 -44.43 92.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.099 179.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -61.78 -31.17 71.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.88 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 7' ' ' ILE . 75.9 mt -62.46 -46.89 95.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.133 0.492 . . . . 0.0 109.948 175.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.681 HH11 ' HA ' ' A' ' 9' ' ' ASP . 21.3 mtp-105 -64.26 -39.25 93.56 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.03 178.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 9' ' ' ASP . 95.2 t -64.68 -47.2 89.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.57 176.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.591 ' HA ' ' HB3' ' A' ' 17' ' ' ASP . 28.7 m-70 -65.54 -27.31 68.35 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.551 ' HA3' HG21 ' A' ' 112' ' ' VAL . . . -61.15 -44.44 98.14 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.375 -0.917 . . . . 0.0 111.455 173.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.19 -29.81 63.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.226 0.536 . . . . 0.0 110.507 175.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.591 ' HB3' ' HA ' ' A' ' 14' ' ' HIS . 17.4 t70 -58.64 -37.4 75.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.284 176.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.29 97.45 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.029 177.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.608 ' OH ' ' HA ' ' A' ' 86' ' ' PRO . 25.3 m-85 -55.73 140.5 67.39 Favored Pre-proline 0 N--CA 1.464 0.235 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.9 -178.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -88.93 -2.21 62.41 Favored 'Cis proline' 0 CA--C 1.533 0.433 0 C-N-CA 123.775 -1.344 . . . . 0.0 113.293 0.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -78.28 173.2 12.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.175 0.512 . . . . 0.0 111.815 -174.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -89.83 129.44 36.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.23 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -163.29 105.24 0.25 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.2 -1.0 . . . . 0.0 113.194 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.2 p -102.22 -177.36 3.38 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 173.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -173.5 175.18 46.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 119.348 -1.406 . . . . 0.0 113.758 176.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.545 ' HB2' ' HE1' ' A' ' 43' ' ' HIS . 29.2 m-85 -120.39 157.4 29.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.3 -0.45 . . . . 0.0 110.463 -178.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 75.0 mt -95.01 131.17 41.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.338 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.412 HD22 ' HB2' ' A' ' 71' ' ' ALA . 88.7 mt -108.62 137.4 46.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.115 178.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.452 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . -173.25 -157.74 15.76 Favored Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -178.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.418 HG23 HD23 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -135.65 145.71 47.09 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 117.456 0.628 . . . . 0.0 112.005 178.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.627 HG12 ' H ' ' A' ' 33' ' ' ASP . 58.2 t -92.28 134.22 31.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 172.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.458 ' C ' ' H ' ' A' ' 34' ' ' ASP . 39.1 p -70.61 2.9 3.53 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -176.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.627 ' H ' HG12 ' A' ' 31' ' ' VAL . 32.5 t70 75.37 -28.55 0.19 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.925 0.89 . . . . 0.0 110.722 -177.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.458 ' H ' ' C ' ' A' ' 32' ' ' THR . 14.6 t70 -77.91 -35.65 50.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.899 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.28 -11.31 0.76 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.28 -0.962 . . . . 0.0 112.539 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -86.7 148.1 25.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.656 0.265 . . . . 0.0 110.302 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -122.32 134.01 54.66 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 173.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.452 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 10.7 ptm180 -115.97 145.48 42.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.399 0.618 . . . . 0.0 110.093 173.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 52.7 t -98.13 120.67 47.75 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.104 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.113 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.98 -30.73 7.39 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.297 -0.411 . . . . 0.0 112.048 -172.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -149.1 145.41 27.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.421 0.629 . . . . 0.0 112.124 -176.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.4 mt -103.64 145.14 30.5 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 173.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.545 ' HE1' ' HB2' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -133.46 135.74 44.7 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.026 -0.67 . . . . 0.0 110.831 179.897 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -93.98 135.14 35.63 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.9 175.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.83 0.348 . . . . 0.0 110.63 170.767 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.0 t70 . . . . . 0 N--CA 1.471 0.601 0 CA-C-O 120.591 0.234 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -58.67 -39.63 81.19 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 177.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 65' ' ' ARG . 40.5 mtp-105 -55.83 -49.15 74.07 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.454 176.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.58 -33.96 76.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.593 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.476 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . . . -64.46 -43.94 92.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.193 177.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -68.24 -43.21 78.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.184 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.522 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -61.34 -52.61 63.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.198 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.64 -32.25 73.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.349 . . . . 0.0 110.621 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.412 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -62.56 -52.14 64.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.53 177.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -67.48 -31.49 71.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.585 0.231 . . . . 0.0 111.317 -178.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 38.5 mt-10 -61.97 -37.03 83.23 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.345 0.593 . . . . 0.0 111.064 175.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -92.19 -10.98 36.74 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.843 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.38 32.82 41.45 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.61 -175.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.418 HD23 HG23 ' A' ' 30' ' ' THR . 81.1 mt -118.29 179.68 4.04 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 123.27 0.628 . . . . 0.0 110.011 -179.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -139.74 178.11 7.47 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 174.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.4 t -89.65 101.16 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.812 0.339 . . . . 0.0 110.168 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.0 m -87.44 -15.98 9.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.982 -175.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.559 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -178.05 -169.91 39.55 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 119.868 -1.158 . . . . 0.0 113.416 -179.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 t -135.85 156.16 37.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.448 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 41.4 p90 -126.53 140.02 52.77 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.413 175.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -129.08 137.46 51.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.002 -178.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.4 p -116.81 126.69 53.45 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 173.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 56.8 m170 -88.97 141.2 29.38 Favored Pre-proline 0 C--N 1.325 -0.489 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.118 178.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.608 ' HA ' ' OH ' ' A' ' 19' ' ' TYR . 60.0 Cg_endo -99.03 -3.18 0.83 Allowed 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 123.405 2.737 . . . . 0.0 113.985 -177.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -130.01 -71.9 0.59 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.166 0.508 . . . . 0.0 111.013 -173.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -90.23 162.67 34.09 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.479 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.477 ' HA ' ' OG ' ' A' ' 111' ' ' SER . 38.8 Cg_exo -63.21 -163.76 0.05 OUTLIER 'Trans proline' 0 CA--C 1.534 0.512 0 C-N-CA 123.179 2.586 . . . . 0.0 114.124 -177.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.47 ' O ' ' HB3' ' A' ' 91' ' ' ARG . . . -67.8 -174.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.495 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.585 ' HG3' ' HD2' ' A' ' 92' ' ' PRO . 7.6 ttp180 66.89 141.26 0.07 OUTLIER Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.691 -172.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.585 ' HD2' ' HG3' ' A' ' 91' ' ' ARG . 28.4 Cg_endo -63.97 135.77 49.39 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.587 2.191 . . . . 0.0 113.293 -178.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.4 m -80.01 -177.11 5.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.062 173.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.64 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -62.71 -50.44 71.11 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.295 0.479 . . . . 0.0 112.295 -173.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.4 m -80.47 -32.25 37.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.046 0.451 . . . . 0.0 110.444 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -55.62 -41.51 73.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.873 173.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.639 ' HG ' ' HE1' ' A' ' 132' ' ' PHE . 8.4 tt -69.7 -44.03 71.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.528 176.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.64 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 53.3 mt-10 -59.1 -37.0 76.12 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.18 -175.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -79.35 4.96 13.73 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -176.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.583 ' HB1' HD22 ' A' ' 125' ' ' LEU . . . -77.76 76.18 4.29 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.414 0.626 . . . . 0.0 109.605 173.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 15.3 t -100.68 -5.23 26.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.91 -175.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -120.11 85.76 36.1 Favored Pre-proline 0 C--N 1.316 -0.858 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.024 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.577 ' HA ' ' OH ' ' A' ' 107' ' ' TYR . 6.0 Cg_exo -78.42 172.04 15.92 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.372 2.714 . . . . 0.0 112.577 -178.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 100.34 10.39 44.93 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.901 -0.666 . . . . 0.0 113.019 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.559 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 84.3 m-85 -122.26 162.95 20.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.711 0.291 . . . . 0.0 111.044 -178.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 37.6 m -92.15 116.97 29.4 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 170.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.577 ' OH ' ' HA ' ' A' ' 103' ' ' PRO . 30.9 m-85 -99.3 108.51 21.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.696 0.284 . . . . 0.0 110.565 -174.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 82' ' ' TYR . 58.2 t -97.1 115.31 36.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.487 HD12 ' HD3' ' A' ' 92' ' ' PRO . 65.5 mt -110.08 118.25 56.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.685 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.3 p -108.07 138.55 34.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.532 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.518 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 22.4 t -93.14 109.71 21.2 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.088 176.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.551 HG21 ' HA3' ' A' ' 15' ' ' GLY . 79.1 t -126.9 116.31 44.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -114.49 103.51 11.11 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.023 0.44 . . . . 0.0 110.685 -171.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 56.1 t0 49.53 57.87 6.03 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.857 -178.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 84.47 -6.45 76.92 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.611 -0.722 . . . . 0.0 113.461 175.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -106.48 109.06 62.87 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 117.12 0.46 . . . . 0.0 111.58 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.454 ' HB3' ' HB3' ' A' ' 12' ' ' ARG . 17.3 Cg_exo -68.53 120.62 7.55 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.866 2.377 . . . . 0.0 111.437 175.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.518 ' HB3' ' HB3' ' A' ' 111' ' ' SER . 44.5 tt0 -94.34 -69.5 0.75 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.245 -174.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -150.54 155.37 39.32 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.939 0.4 . . . . 0.0 111.933 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 28.4 mt -105.29 141.41 36.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.05 175.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 25.7 p -140.82 130.51 24.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.142 173.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -110.19 135.04 51.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.886 0.374 . . . . 0.0 110.413 178.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.425 ' CZ3' ' HB2' ' A' ' 134' ' ' ARG . 62.5 m95 -133.49 145.34 50.1 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.424 0.631 . . . . 0.0 112.062 -171.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -112.56 127.96 56.22 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.033 169.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.583 HD22 ' HB1' ' A' ' 100' ' ' ALA . 54.7 tp -81.65 140.25 34.5 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.757 0.313 . . . . 0.0 110.624 -177.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.527 ' O ' ' HG ' ' A' ' 125' ' ' LEU . . . -65.5 141.48 97.98 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 171.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.24 -24.81 43.66 Favored 'Trans proline' 0 N--CA 1.473 0.298 0 C-N-CA 122.746 2.298 . . . . 0.0 112.819 -176.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -106.33 12.72 29.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.086 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.442 ' HA ' HD11 ' A' ' 125' ' ' LEU . 38.3 ptt180 44.41 44.52 6.97 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.443 1.097 . . . . 0.0 113.15 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 62.1 m -81.48 -25.44 36.03 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.377 172.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -171.55 177.11 3.55 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.173 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.639 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 51.6 m-85 -110.97 153.39 25.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.248 172.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -123.34 132.77 54.1 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 175.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.425 ' HB2' ' CZ3' ' A' ' 123' ' ' TRP . 59.9 ttt-85 -79.66 142.35 35.63 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.837 -174.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -133.93 150.46 51.31 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 175.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -103.7 162.59 12.95 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -176.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.575 HG12 HD21 ' A' ' 8' ' ' LEU . 3.1 mp -85.77 119.03 33.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 121.001 0.429 . . . . 0.0 110.313 -177.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -109.16 145.42 15.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.401 176.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.444 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 27.8 mtm180 -74.58 144.54 80.79 Favored Pre-proline 0 C--N 1.318 -0.766 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.365 -176.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 139' ' ' ARG . 33.6 Cg_exo -61.31 137.97 73.9 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.546 2.164 . . . . 0.0 111.361 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--N 1.322 -0.604 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.857 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.604 ' HA ' ' O ' ' A' ' 36' ' ' ASP . 20.4 ttt . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 120.812 0.339 . . . . 0.0 110.742 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.468 ' HD2' ' HB ' ' A' ' 138' ' ' VAL . 0.3 OUTLIER -115.69 144.56 43.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.394 177.731 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.563 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 11.2 t -157.02 149.91 23.66 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.552 HG22 ' HG3' ' A' ' 140' ' ' PRO . 40.9 p -81.44 148.69 63.32 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-O 120.718 0.294 . . . . 0.0 111.2 -175.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.14 -27.43 84.87 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.543 2.162 . . . . 0.0 110.564 175.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.467 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 12.5 t0 -56.26 -49.77 73.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.969 174.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.561 ' O ' HG13 ' A' ' 11' ' ' ILE . 29.8 mm -68.06 -45.23 83.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.721 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 89.8 mt -57.43 -42.47 82.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.791 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -69.28 -38.88 78.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.156 0.503 . . . . 0.0 110.306 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 47.3 mt-30 -61.68 -38.6 88.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.127 175.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 7' ' ' ILE . 74.8 mt -63.82 -49.41 82.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 120.67 0.271 . . . . 0.0 111.176 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 12' ' ' ARG . 1.6 ptm180 -63.75 -37.63 88.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.97 -178.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.4 t -69.51 -40.41 79.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.909 0.385 . . . . 0.0 110.208 175.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -58.24 -35.55 71.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.49 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.24 -49.16 80.8 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.076 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.03 -26.69 62.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.98 0.419 . . . . 0.0 111.119 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -74.93 -38.88 61.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.219 -178.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.93 -34.3 26.59 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.746 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.551 ' HA ' ' N ' ' A' ' 21' ' ' GLU . 6.7 m-85 -69.47 162.35 67.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.073 -176.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.458 ' HA ' ' HB3' ' A' ' 19' ' ' TYR . 15.2 Cg_exo -68.56 -4.73 6.83 Favored 'Cis proline' 0 C--N 1.353 0.8 0 N-CA-C 114.601 0.962 . . . . 0.0 114.601 7.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.551 ' N ' ' HA ' ' A' ' 19' ' ' TYR . 28.8 mt-10 -73.96 135.75 43.22 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 176.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -75.06 89.28 2.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.01 0.433 . . . . 0.0 110.059 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.61 110.57 3.16 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.988 177.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.4 p -99.43 -179.84 4.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.689 0.281 . . . . 0.0 110.577 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 170.63 -157.98 29.42 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.171 -1.014 . . . . 0.0 112.837 177.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -134.84 165.18 25.89 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -176.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.3 mt -114.85 134.21 55.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.393 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.551 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 74.1 mt -116.16 144.52 44.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.887 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 175.02 -153.12 14.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 119.781 -1.2 . . . . 0.0 112.948 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.31 146.42 44.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.198 0.523 . . . . 0.0 111.397 -177.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.2 t -96.32 110.29 24.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.339 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.09 137.75 57.27 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.956 177.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.54 -22.63 65.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.029 0.442 . . . . 0.0 111.12 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -74.16 -18.56 60.76 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.175 178.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.76 25.25 27.99 Favored Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -172.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.604 ' O ' ' HA ' ' A' ' 1' ' ' MET . 12.7 t70 -79.82 -48.36 13.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.209 -0.495 . . . . 0.0 111.322 -176.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.809 HD21 ' HB ' ' A' ' 79' ' ' VAL . 26.3 t-20 78.08 112.89 0.07 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.881 0.872 . . . . 0.0 111.273 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -115.94 109.65 17.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.819 -178.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.0 t -86.92 123.79 40.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.69 -7.2 6.8 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -174.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.551 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -144.38 143.3 30.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.974 0.416 . . . . 0.0 111.232 -178.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.6 mt -101.6 154.82 18.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.715 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -134.47 119.46 18.55 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.058 0.456 . . . . 0.0 110.468 174.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -83.93 138.33 33.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.551 174.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 CA-C-O 121.142 0.496 . . . . 0.0 110.84 178.591 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.2 t0 . . . . . 0 C--O 1.237 0.404 0 CA-C-O 121.543 0.687 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -71.12 -40.44 71.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.514 173.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -57.15 -48.6 78.29 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -172.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.44 -27.5 64.3 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.629 -178.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.75 -44.28 70.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.285 175.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.581 ' O ' ' HG2' ' A' ' 72' ' ' GLN . 14.3 t70 -64.71 -47.51 78.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.54 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.493 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -58.52 -53.43 58.39 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.469 -178.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.37 -32.66 74.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 110.843 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.51 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -63.95 -49.02 74.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.361 175.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.581 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 74.8 mm-40 -61.02 -39.58 90.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 110.661 178.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 50.9 mt-10 -57.49 -43.89 84.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.277 177.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -89.14 -4.29 58.34 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.329 -175.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.43 31.7 58.7 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.349 -0.929 . . . . 0.0 111.842 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.8 mt -125.37 -175.11 3.23 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.433 ' HA ' ' HB1' ' A' ' 71' ' ' ALA . 6.5 p-10 -140.41 175.29 9.72 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 171.23 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.412 ' HA ' HD23 ' A' ' 28' ' ' LEU . 23.9 t -78.89 100.0 3.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.824 -178.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.809 ' HB ' HD21 ' A' ' 37' ' ' ASN . 31.3 m -95.07 -3.96 10.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.676 -174.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -171.05 175.48 44.7 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 119.902 -1.142 . . . . 0.0 113.293 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.5 t -137.63 156.25 32.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.415 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 40.5 p90 -133.93 141.98 47.54 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.767 177.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -118.28 139.37 51.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.205 178.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.5 m -106.15 125.93 51.59 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 174.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.496 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 37.7 m170 -125.31 142.09 40.59 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-O 120.825 0.345 . . . . 0.0 110.659 -179.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 9.3 Cg_endo -91.74 129.6 1.14 Allowed 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.445 2.763 . . . . 0.0 113.004 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.433 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 23.2 t70 53.73 73.97 0.35 Allowed 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.851 173.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -154.78 163.26 24.98 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.909 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -70.75 6.9 1.44 Allowed 'Trans proline' 0 N--CA 1.475 0.414 0 C-N-CA 123.282 2.655 . . . . 0.0 113.087 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 67.26 78.35 0.25 Allowed 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 121.808 0.813 . . . . 0.0 110.389 -175.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -163.31 162.39 17.6 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 114.843 -1.071 . . . . 0.0 108.632 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.92 149.06 77.49 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.567 2.178 . . . . 0.0 112.598 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.8 m -94.45 162.91 13.63 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 173.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.653 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -55.65 -47.97 75.77 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -174.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 98.5 m -80.9 -31.42 35.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.656 0.265 . . . . 0.0 111.143 -178.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -60.34 -35.09 74.85 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 174.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.578 ' HG ' ' HE1' ' A' ' 132' ' ' PHE . 8.8 tt -69.4 -45.15 69.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.221 173.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.653 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 47.1 mt-10 -58.01 -40.12 79.98 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.642 -178.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -72.67 -13.82 61.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.87 0.367 . . . . 0.0 111.679 -176.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.23 86.96 4.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.444 0.64 . . . . 0.0 109.764 174.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.6 m -113.92 7.54 16.96 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.395 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -124.63 86.54 55.52 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.354 -177.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.63 160.55 47.57 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.874 2.383 . . . . 0.0 112.183 178.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 112.9 -12.86 24.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.625 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -107.29 144.49 34.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.444 -0.378 . . . . 0.0 110.264 178.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.4 HG21 ' SD ' ' A' ' 1' ' ' MET . 14.6 m -91.41 129.34 37.4 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 174.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.477 ' CD2' ' HE2' ' A' ' 132' ' ' PHE . 98.1 m-85 -104.38 117.36 34.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.937 0.399 . . . . 0.0 111.113 -175.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 82' ' ' TYR . 85.2 t -106.04 126.11 61.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.91 176.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.4 mt -116.2 126.09 73.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 120.998 0.428 . . . . 0.0 110.422 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.461 ' HB ' HD23 ' A' ' 120' ' ' LEU . 6.9 p -111.76 139.09 37.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.581 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.8 t -100.68 109.65 21.72 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.592 177.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 44.3 t -119.29 116.76 51.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 177.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.433 ' HG2' ' HA ' ' A' ' 87' ' ' ASP . 43.2 mtt180 -104.23 80.9 1.76 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.793 -176.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.8 t70 50.71 79.66 0.09 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 114.814 -1.084 . . . . 0.0 111.965 -176.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.529 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 80.61 -15.58 18.69 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.87 -0.681 . . . . 0.0 113.021 177.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -101.04 103.93 28.77 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.712 0.256 . . . . 0.0 111.646 -178.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.529 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 3.3 Cg_exo -77.04 111.59 3.25 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 123.174 2.583 . . . . 0.0 111.05 176.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -83.16 -67.94 0.75 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.365 -174.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -149.3 158.32 44.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.138 0.494 . . . . 0.0 111.669 -176.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.461 HD23 ' HB ' ' A' ' 110' ' ' VAL . 56.4 mt -112.72 122.31 47.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.745 176.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 40.7 p -119.99 131.48 55.17 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.639 0.257 . . . . 0.0 110.827 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.8 133.32 53.27 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.017 0.437 . . . . 0.0 109.829 178.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -126.78 138.75 53.41 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.015 -173.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -105.14 127.76 53.05 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.485 175.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 61.8 tp -83.77 137.72 33.6 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.85 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.58 135.44 63.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.93 175.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -52.87 -36.05 72.85 Favored 'Trans proline' 0 N--CA 1.473 0.312 0 C-N-CA 123.299 2.666 . . . . 0.0 113.361 -174.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -94.65 8.02 43.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.442 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? 63.2 97.12 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.384 0.611 . . . . 0.0 110.602 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 23.0 m -150.09 -48.63 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.424 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -153.62 172.28 17.47 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.053 -177.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.578 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 65.7 m-85 -107.77 147.93 30.17 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.752 177.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -124.87 145.15 49.95 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.127 0.489 . . . . 0.0 110.012 176.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -91.86 139.39 30.71 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.423 -178.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -133.04 163.05 30.1 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 175.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -87.64 147.81 25.1 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 3.4 mp -84.21 125.11 40.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.468 ' HB ' ' HD2' ' A' ' 2' ' ' LYS . 1.0 OUTLIER -109.15 154.83 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.107 0.48 . . . . 0.0 110.421 -177.299 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -80.59 152.8 73.05 Favored Pre-proline 0 C--N 1.317 -0.841 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.67 -178.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.563 ' HD3' ' O ' ' A' ' 3' ' ' THR . 16.7 Cg_endo -56.94 144.73 88.04 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.947 2.432 . . . . 0.0 112.182 -176.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 C--O 1.234 0.255 0 O-C-N 123.918 0.761 . . . . 0.0 111.071 -178.002 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.547 ' HA ' ' OD1' ' A' ' 36' ' ' ASP . 1.2 tmt? . . . . . 0 N--CA 1.477 0.922 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 138' ' ' VAL . 10.8 mptt -127.15 119.27 26.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.036 0.446 . . . . 0.0 111.834 -178.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.464 HG22 HG23 ' A' ' 137' ' ' ILE . 5.2 t -159.09 173.8 15.88 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.144 174.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 26.1 p -97.68 151.97 37.89 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-O 120.634 0.254 . . . . 0.0 110.692 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.64 -29.13 69.13 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.024 2.483 . . . . 0.0 111.65 176.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.34 -45.5 88.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.69 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.495 ' O ' HG13 ' A' ' 11' ' ' ILE . 46.3 mm -64.47 -43.99 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.285 177.118 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.544 HD11 HG21 ' A' ' 137' ' ' ILE . 97.4 mt -56.89 -41.94 78.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.893 179.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.547 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 36.4 t70 -63.73 -45.23 90.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.452 177.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.46 ' NE2' HD13 ' A' ' 7' ' ' ILE . 51.3 mt-30 -56.84 -36.47 70.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.091 176.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 7' ' ' ILE . 75.6 mt -65.25 -50.0 75.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.489 0.185 . . . . 0.0 111.323 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.547 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -65.65 -36.97 85.22 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.797 -0.183 . . . . 0.0 111.307 -178.438 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.4 t -69.28 -44.28 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.971 0.415 . . . . 0.0 110.397 176.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.861 ' HE1' ' HB2' ' A' ' 44' ' ' ARG . 14.8 t-80 -62.73 -31.87 72.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.302 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.26 -38.03 91.38 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.285 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.91 -34.42 66.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.957 0.408 . . . . 0.0 110.096 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -63.68 -38.64 91.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.083 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.85 95.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.343 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -67.18 159.15 78.7 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.047 -178.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.86 -3.28 16.14 Favored 'Cis proline' 0 C--N 1.347 0.458 0 C-N-CA 124.104 -1.207 . . . . 0.0 113.733 4.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -75.26 -174.26 2.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.121 0.486 . . . . 0.0 110.731 177.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -87.4 144.2 26.87 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.671 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.486 ' HA2' ' HD2' ' A' ' 44' ' ' ARG . . . -102.79 -99.07 2.47 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.303 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.8 t 63.8 -176.81 0.16 Allowed 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 121.199 0.524 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 145.1 -176.03 24.36 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.061 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -109.68 150.66 27.94 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.851 0.358 . . . . 0.0 110.54 -176.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.0 mt -97.96 119.18 36.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.506 177.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.511 HD22 ' HB2' ' A' ' 71' ' ' ALA . 85.9 mt -103.77 132.68 49.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.945 0.402 . . . . 0.0 110.379 -177.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.516 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . 176.94 -147.68 8.51 Favored Glycine 0 N--CA 1.441 -0.991 0 C-N-CA 120.913 -0.66 . . . . 0.0 111.723 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.1 p -136.39 159.2 42.49 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.693 0.282 . . . . 0.0 111.142 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.3 t -89.31 124.65 42.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 33' ' ' ASP . 2.1 m -135.15 172.66 12.69 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.867 -170.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.427 ' H ' HG22 ' A' ' 32' ' ' THR . 31.9 t70 74.27 -86.81 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.579 0.752 . . . . 0.0 111.966 171.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -163.77 54.43 0.16 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 122.246 1.022 . . . . 0.0 108.892 178.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.73 33.11 7.23 Favored Glycine 0 C--N 1.311 -0.847 0 CA-C-N 114.055 -1.43 . . . . 0.0 111.42 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.547 ' OD1' ' HA ' ' A' ' 1' ' ' MET . 7.2 t0 -111.9 163.85 13.76 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 176.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -114.95 121.5 43.36 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 121.408 0.623 . . . . 0.0 110.952 -172.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.516 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 57.2 ttt180 -101.87 106.82 17.83 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.132 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 62.0 t -90.56 119.11 37.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.558 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -113.59 -21.84 10.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.838 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.511 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -139.5 154.88 47.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.907 0.384 . . . . 0.0 111.513 -176.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 74.9 mt -122.81 147.43 46.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.387 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -146.59 122.42 10.61 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.861 ' HB2' ' HE1' ' A' ' 14' ' ' HIS . 9.5 ttp180 -84.92 129.71 34.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.177 0.513 . . . . 0.0 110.508 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.89 177.896 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 . . . . . 0 N--CA 1.466 0.334 0 CA-C-O 120.593 0.235 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -62.92 -45.63 91.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.438 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.2 mtp-105 -64.93 -43.37 92.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.775 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.53 -35.71 81.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.888 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.16 -40.2 78.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.079 176.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.469 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 25.2 t70 -66.78 -44.03 82.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.741 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.484 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -60.63 -51.25 70.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.795 179.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.29 -32.8 73.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.899 0.381 . . . . 0.0 110.546 177.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.511 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -63.52 -48.83 75.93 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.248 175.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 68' ' ' ASP . 65.1 mt-30 -57.99 -41.39 82.92 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.888 0.375 . . . . 0.0 110.47 177.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 53.2 mt-10 -57.31 -39.65 76.24 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.116 177.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.409 HE21 ' HB2' ' A' ' 74' ' ' GLN . 17.8 mt-30 -85.72 -18.5 32.9 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.834 -178.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.07 28.58 25.26 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.409 -176.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 72.2 mt -124.6 178.12 5.6 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 122.737 0.415 . . . . 0.0 110.003 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -139.62 -179.33 5.85 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 174.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.9 t -85.15 109.25 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.944 0.402 . . . . 0.0 110.304 -179.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.3 m -102.85 -11.01 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.634 -177.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -172.54 -176.53 41.3 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.041 -1.075 . . . . 0.0 113.035 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.484 ' O ' ' HA ' ' A' ' 107' ' ' TYR . 4.8 t -137.96 157.62 32.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -137.27 140.78 41.83 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.995 176.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -130.17 147.42 51.9 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -176.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.4 p -104.69 128.33 52.72 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.59 0.233 . . . . 0.0 110.464 -176.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 23.8 m170 -108.84 143.75 28.2 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.168 179.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 3.5 Cg_exo -81.62 107.66 1.82 Allowed 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 123.052 2.501 . . . . 0.0 111.257 174.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.4 t0 64.65 -158.53 0.3 Allowed 'General case' 0 C--O 1.235 0.318 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 73.5 m80 68.65 164.14 0.13 Allowed Pre-proline 0 C--N 1.323 -0.569 0 C-N-CA 123.397 0.679 . . . . 0.0 112.232 175.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -68.54 5.78 1.16 Allowed 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 123.768 2.978 . . . . 0.0 114.414 -174.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.628 ' HB2' ' HB2' ' A' ' 111' ' ' SER . . . 72.75 12.72 5.27 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 175.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 91' ' ' ARG . 43.3 mtt180 -80.39 154.5 74.24 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 175.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -57.2 143.77 92.46 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 123.085 2.523 . . . . 0.0 113.464 -177.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.3 m -98.86 173.64 6.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.341 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.601 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -66.05 -50.36 64.41 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -172.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.0 m -79.45 -32.92 42.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.318 0.58 . . . . 0.0 109.504 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -56.94 -40.96 77.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.182 177.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.412 ' HA ' ' HE2' ' A' ' 132' ' ' PHE . 6.7 tt -70.36 -43.53 69.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.473 175.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.601 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 69.3 mt-10 -61.47 -26.27 67.79 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -176.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -77.9 -9.17 58.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.678 0.275 . . . . 0.0 111.686 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -91.99 113.79 26.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.844 0.354 . . . . 0.0 110.442 179.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.471 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 1.7 m -128.04 13.4 6.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.023 0.439 . . . . 0.0 111.514 -176.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -115.39 87.19 16.12 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 120.668 0.271 . . . . 0.0 111.524 -178.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.471 ' HD3' ' O ' ' A' ' 101' ' ' THR . 16.4 Cg_exo -68.13 115.31 3.76 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.897 2.398 . . . . 0.0 112.069 179.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 128.87 -24.38 4.84 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.478 -178.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -79.09 148.86 32.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.589 -0.305 . . . . 0.0 110.209 176.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 62.8 m -92.6 122.99 35.56 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 175.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.484 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 58.7 m-85 -103.34 110.66 22.74 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.715 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 84.7 t -95.97 119.87 44.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.213 0.53 . . . . 0.0 110.017 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.1 mt -109.94 118.18 56.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.668 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.669 HG23 ' HG ' ' A' ' 120' ' ' LEU . 7.5 p -105.97 133.22 50.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.491 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.628 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 33.0 t -88.3 109.89 20.32 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.848 178.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.484 HG12 ' H ' ' A' ' 115' ' ' GLY . 27.0 t -114.82 115.14 48.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 176.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -87.19 79.07 8.7 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.408 -175.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.4 t70 60.15 25.7 15.05 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.039 176.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.484 ' H ' HG12 ' A' ' 112' ' ' VAL . . . 131.66 -23.77 4.19 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.626 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -98.11 109.96 54.02 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 122.837 -0.214 . . . . 0.0 111.356 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -65.72 118.48 5.52 Favored 'Trans proline' 0 N--CA 1.463 -0.265 0 C-N-CA 122.452 2.101 . . . . 0.0 111.06 176.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -100.29 -70.39 0.74 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.116 -175.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -134.94 150.49 50.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.961 0.41 . . . . 0.0 111.123 -177.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.669 ' HG ' HG23 ' A' ' 110' ' ' VAL . 5.9 mp -117.32 136.73 52.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.026 179.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 35.1 p -132.36 145.55 51.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.555 0.217 . . . . 0.0 110.49 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -119.24 134.64 55.1 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.0 0.429 . . . . 0.0 110.168 177.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 70.5 m95 -129.3 151.47 49.91 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.982 -174.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -115.85 133.55 55.91 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.354 174.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 54.1 tp -80.13 133.72 36.1 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.4 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . . . -54.98 140.59 61.23 Favored Pre-proline 0 C--N 1.33 -0.255 0 O-C-N 123.562 0.539 . . . . 0.0 110.978 -179.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 126' ' ' ALA . 66.4 Cg_exo -51.6 -28.25 28.38 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.436 2.757 . . . . 0.0 113.197 -176.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -122.3 51.65 1.36 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.846 0.355 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 44.14 38.47 2.35 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.315 1.046 . . . . 0.0 113.403 171.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 6.1 m -78.88 -60.27 2.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.973 0.416 . . . . 0.0 110.831 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -167.46 -165.32 0.66 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.492 -175.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.412 ' HE2' ' HA ' ' A' ' 97' ' ' LEU . 34.0 m-85 -104.44 144.84 31.12 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.126 0.489 . . . . 0.0 109.976 175.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -123.73 146.71 48.08 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.319 176.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' A' ' 134' ' ' ARG . 9.0 tpt180 -67.87 135.05 51.91 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.756 -172.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -117.54 175.09 5.8 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.939 -1.028 . . . . 0.0 108.879 174.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -146.2 146.25 30.74 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.662 -178.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.544 HG21 HD11 ' A' ' 8' ' ' LEU . 3.7 mp -91.55 114.94 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.249 -176.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 0.6 OUTLIER -116.83 155.33 18.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 177.133 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.404 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 44.0 mtp180 -72.51 137.77 80.74 Favored Pre-proline 0 C--N 1.318 -0.783 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 177.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 139' ' ' ARG . 15.1 Cg_exo -67.99 116.32 4.25 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.609 2.206 . . . . 0.0 111.284 177.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.325 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 ttm . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.521 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -100.95 122.5 43.6 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 173.278 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.472 HG21 HD21 ' A' ' 8' ' ' LEU . 15.1 t -156.98 174.64 15.22 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.978 -171.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 46.5 p -114.19 148.65 40.53 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.498 -176.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -55.35 -34.58 89.27 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 123.0 2.467 . . . . 0.0 112.276 178.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.504 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 34.1 t70 -59.32 -47.4 85.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.86 178.291 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.555 ' O ' HG13 ' A' ' 11' ' ' ILE . 46.3 mm -68.35 -42.72 84.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.374 178.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.472 HD21 HG21 ' A' ' 3' ' ' THR . 86.5 mt -54.75 -45.6 74.21 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.574 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -67.29 -39.61 86.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.124 0.487 . . . . 0.0 110.61 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.504 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 47.8 mt-30 -63.33 -33.55 75.76 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.145 178.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 7' ' ' ILE . 74.7 mt -61.88 -40.93 88.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 175.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 67.6 mtt180 -58.56 -49.43 77.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.243 0.544 . . . . 0.0 110.174 176.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.33 -46.9 91.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.356 -178.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -65.19 -27.74 68.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.813 -177.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.95 -47.36 91.67 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.69 175.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.79 -30.56 62.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.068 0.461 . . . . 0.0 110.728 176.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -59.24 -36.27 75.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.402 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.96 -15.4 57.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.379 -178.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.445 ' OH ' ' HB3' ' A' ' 86' ' ' PRO . 2.0 m-85 -67.07 164.49 35.14 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.105 -178.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -77.44 -2.99 28.99 Favored 'Cis proline' 0 C--N 1.351 0.677 0 C-N-CA 124.589 -1.005 . . . . 0.0 113.775 2.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -81.24 169.21 17.61 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.801 -178.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -74.68 122.85 23.85 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.101 0.477 . . . . 0.0 110.305 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.83 89.36 0.8 Allowed Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.603 -177.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.1 p -95.82 151.98 18.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.883 0.373 . . . . 0.0 110.005 174.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -171.92 -177.54 41.59 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.184 -1.007 . . . . 0.0 112.734 -178.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -116.68 149.1 40.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.626 0.251 . . . . 0.0 110.76 -175.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.5 mt -105.27 125.33 50.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.155 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.547 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 61.1 mt -110.02 144.64 38.28 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -178.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.497 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . -173.91 -159.8 21.03 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.087 -1.054 . . . . 0.0 112.684 179.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.1 p -121.24 159.93 24.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.865 0.364 . . . . 0.0 111.0 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.9 t -96.01 109.83 23.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.984 0.421 . . . . 0.0 110.145 176.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.408 ' C ' ' H ' ' A' ' 34' ' ' ASP . 17.8 p -97.6 149.96 21.66 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.853 177.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.5 t70 70.35 -3.45 1.85 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.335 0.588 . . . . 0.0 110.325 178.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 32' ' ' THR . 24.0 t70 68.1 20.15 9.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.92 -1.037 . . . . 0.0 109.833 -176.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.0 10.27 0.12 Allowed Glycine 0 CA--C 1.523 0.576 0 C-N-CA 120.654 -0.784 . . . . 0.0 113.791 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -123.9 159.82 28.84 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 117.466 0.633 . . . . 0.0 110.97 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.455 ' HB2' ' HB ' ' A' ' 79' ' ' VAL . 7.7 p30 -105.49 123.12 47.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.401 177.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.521 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 57.3 ttt180 -116.88 109.28 16.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.26 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.8 t -76.7 129.78 36.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.716 -0.22 . . . . 0.0 110.813 -178.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -130.77 -27.67 2.08 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -177.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.547 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -137.67 148.03 45.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.933 0.397 . . . . 0.0 111.406 -176.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.8 mt -113.67 145.41 41.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.302 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -137.88 121.13 16.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.735 0.303 . . . . 0.0 110.747 176.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -84.88 138.79 32.32 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 174.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 111.585 -176.934 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.2 t70 . . . . . 0 C--O 1.235 0.337 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -53.25 -47.19 69.28 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 121.246 -0.182 . . . . 0.0 110.783 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -61.1 -40.7 94.71 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 123.075 0.234 . . . . 0.0 110.834 -175.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.83 -47.51 74.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.21 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.35 -37.62 88.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.238 0.542 . . . . 0.0 110.368 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.533 ' O ' ' HG2' ' A' ' 72' ' ' GLN . 17.7 t70 -65.65 -40.79 92.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.041 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.03 84.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.097 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.25 -32.93 74.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.056 0.455 . . . . 0.0 110.194 176.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.477 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -61.91 -48.89 78.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.84 173.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 29.3 mm-40 -57.35 -41.57 80.33 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.404 178.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -54.7 -42.39 71.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.191 177.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.41 HE21 ' HB2' ' A' ' 74' ' ' GLN . 17.9 mt-30 -88.48 6.94 35.36 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.619 -177.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.1 23.53 77.83 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.211 179.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 43.3 mt -117.77 172.09 7.61 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -178.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -139.09 168.58 19.52 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 172.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.3 t -78.2 108.75 12.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.883 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.455 ' HB ' ' HB2' ' A' ' 37' ' ' ASN . 27.1 m -91.1 -12.29 9.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.288 -176.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 173.94 -176.31 46.43 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.068 -1.063 . . . . 0.0 113.326 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.1 t -134.34 158.11 41.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 -179.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -132.96 151.36 52.07 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.244 0.545 . . . . 0.0 111.39 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -124.41 153.67 41.56 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.171 -178.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.1 m -103.51 130.71 50.95 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 173.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.626 ' HB3' ' O ' ' A' ' 88' ' ' HIS . 2.1 m170 -117.39 85.86 20.94 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -173.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.445 ' HB3' ' OH ' ' A' ' 19' ' ' TYR . 94.2 Cg_endo -93.43 -5.81 2.76 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 122.737 2.291 . . . . 0.0 111.579 169.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -90.66 -42.03 10.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.687 -1.142 . . . . 0.0 110.581 -176.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.626 ' O ' ' HB3' ' A' ' 85' ' ' HIS . 20.3 m80 -147.26 165.31 19.36 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.74 -166.36 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.998 2.466 . . . . 0.0 114.005 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.73 11.76 2.43 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -168.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 91' ' ' ARG . 39.0 mtm180 -101.63 147.72 34.23 Favored Pre-proline 0 C--N 1.32 -0.711 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.154 174.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -62.2 131.7 35.62 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 123.032 2.488 . . . . 0.0 112.687 -177.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.9 m -96.02 -175.05 3.28 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.433 177.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.47 -40.09 85.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.63 0.252 . . . . 0.0 110.907 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.7 p -64.98 -40.45 94.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.492 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -63.29 -39.14 93.76 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.092 0.473 . . . . 0.0 109.962 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -45.87 83.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.536 176.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -70.88 -26.49 63.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.028 -0.987 . . . . 0.0 112.386 -176.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -95.65 20.74 9.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.216 0.532 . . . . 0.0 110.789 176.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -106.45 108.79 20.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.675 177.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.629 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 5.8 t -135.54 3.08 3.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.561 0.696 . . . . 0.0 110.723 -178.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.619 ' HB3' ' CD1' ' A' ' 105' ' ' PHE . 93.7 m-85 -107.57 88.64 4.36 Favored Pre-proline 0 C--N 1.315 -0.918 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.579 -178.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.629 ' HD3' ' O ' ' A' ' 101' ' ' THR . 5.8 Cg_exo -76.98 64.37 7.72 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.011 2.474 . . . . 0.0 112.123 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 171.46 27.62 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.89 178.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.619 ' CD1' ' HB3' ' A' ' 102' ' ' PHE . 35.9 m-85 -132.38 154.06 50.16 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -177.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.6 m -92.69 116.97 29.49 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.858 0.361 . . . . 0.0 110.358 177.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -93.13 108.27 19.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.792 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 89.1 t -96.17 125.73 48.95 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 121.303 0.573 . . . . 0.0 110.506 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 76.7 mt -121.08 117.91 54.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.625 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.16 128.58 72.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 121.59 0.709 . . . . 0.0 110.915 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.4 t -82.22 106.44 14.12 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.597 175.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 57.4 t -114.89 117.04 54.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -104.16 90.77 3.68 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.397 0.618 . . . . 0.0 110.88 -177.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 19.5 t70 56.53 45.65 21.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.312 -1.313 . . . . 0.0 111.215 176.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 101.74 -13.65 57.8 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.422 177.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -92.83 115.59 65.13 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 120.434 0.159 . . . . 0.0 111.254 -179.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_exo -71.41 104.21 1.53 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.879 2.386 . . . . 0.0 110.952 175.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -93.66 -68.92 0.77 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.435 -173.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.27 122.88 25.87 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -177.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.0 tt -108.17 123.08 48.2 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.3 m -140.13 155.9 46.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.938 0.399 . . . . 0.0 110.089 -179.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -124.96 146.91 49.15 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 76.7 m95 -132.79 139.4 47.51 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.794 -175.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.59 128.72 52.67 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.687 176.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 63.4 tp -83.97 134.65 34.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.896 0.379 . . . . 0.0 110.356 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . . . -68.46 148.09 98.14 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.423 176.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 126' ' ' ALA . 32.1 Cg_exo -59.67 -26.38 81.95 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.912 2.408 . . . . 0.0 112.718 -178.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -86.24 -11.3 52.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.33 178.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 65.58 21.39 11.72 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.585 -173.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 7.7 p -68.11 -37.39 81.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.433 -178.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -162.67 175.44 11.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.145 0.498 . . . . 0.0 110.668 -178.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -106.55 153.96 21.57 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.385 174.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -124.1 138.53 54.42 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 176.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 134' ' ' ARG . 4.3 ttp180 -68.66 126.42 29.65 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.334 0.587 . . . . 0.0 110.462 178.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.08 166.07 14.69 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.869 -178.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -118.38 139.91 50.65 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.944 -177.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 49.5 mm -96.63 113.46 31.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.964 0.411 . . . . 0.0 110.26 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.483 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 3.4 m -133.74 154.16 37.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.67 -179.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -83.09 144.33 47.13 Favored Pre-proline 0 N--CA 1.448 -0.555 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -69.38 121.77 8.55 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 121.671 1.581 . . . . 0.0 110.128 169.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.2 t70 . . . . . 0 N--CA 1.467 0.399 0 O-C-N 123.534 0.521 . . . . 0.0 110.738 -175.32 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 138' ' ' VAL . 1.1 mptm? -113.99 119.04 35.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.056 0.455 . . . . 0.0 110.546 -179.36 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.5 t -159.29 174.1 15.3 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.293 -177.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.6 p -101.79 159.17 30.21 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.885 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.484 ' HA ' HD12 ' A' ' 8' ' ' LEU . 9.6 Cg_endo -53.87 -29.36 52.86 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.269 2.646 . . . . 0.0 111.77 176.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.48 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 1.8 m-20 -55.16 -49.63 71.36 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.047 176.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.46 ' O ' HG12 ' A' ' 11' ' ' ILE . 45.9 mm -66.95 -41.57 87.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.337 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 5' ' ' PRO . 89.7 mt -55.77 -46.4 77.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.924 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.441 ' O ' HG23 ' A' ' 13' ' ' VAL . 33.9 t70 -69.25 -41.31 77.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.996 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.48 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 47.9 mt-30 -58.52 -34.76 71.33 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.253 178.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.639 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 41.3 mm -62.42 -43.9 98.7 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 121.16 0.505 . . . . 0.0 109.876 174.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.9 mtp85 -60.91 -45.15 95.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.983 177.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 9' ' ' ASP . 86.1 t -61.46 -50.26 81.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.713 -176.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.639 ' CD2' ' HA ' ' A' ' 11' ' ' ILE . 12.2 p80 -67.1 -27.86 67.69 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.792 -178.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.05 -49.16 68.95 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.782 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.414 ' HB2' ' HG3' ' A' ' 117' ' ' PRO . . . -69.38 -31.02 69.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.989 0.423 . . . . 0.0 110.678 178.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -66.26 -38.89 88.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.303 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.19 -27.77 22.81 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.958 -177.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.718 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 1.9 t80 -55.24 148.35 31.6 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.862 -177.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.718 ' HA ' ' CG ' ' A' ' 19' ' ' TYR . 89.5 Cg_endo -80.06 -3.76 40.8 Favored 'Cis proline' 0 C--N 1.351 0.69 0 C-N-CA 124.171 -1.179 . . . . 0.0 113.816 4.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -71.26 147.93 47.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.457 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -77.52 77.54 4.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.187 0.518 . . . . 0.0 111.398 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.61 100.33 0.74 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.917 176.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 59.3 m -110.81 176.02 5.19 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.946 0.403 . . . . 0.0 110.989 -175.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 174.7 -158.03 25.78 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.036 -178.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -120.3 152.09 38.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.844 0.354 . . . . 0.0 111.096 -175.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.1 mt -100.07 123.33 44.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.688 176.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.475 HD22 ' HB2' ' A' ' 71' ' ' ALA . 70.3 mt -105.08 131.97 51.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.243 0.544 . . . . 0.0 110.417 -177.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.15 -157.3 16.17 Favored Glycine 0 N--CA 1.441 -0.98 0 N-CA-C 111.456 -0.657 . . . . 0.0 111.456 -178.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.452 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 1.3 p -136.51 148.73 47.78 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.751 0.31 . . . . 0.0 111.506 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 36' ' ' ASP . 62.2 t -98.19 131.88 44.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 173.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.1 p -73.38 176.61 5.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.833 0.349 . . . . 0.0 111.011 -177.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -67.28 -28.25 67.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.186 177.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -87.38 -12.3 46.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.686 -177.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.86 16.44 13.92 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.518 -0.849 . . . . 0.0 113.105 175.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.504 ' O ' ' HA ' ' A' ' 31' ' ' VAL . 11.6 m-20 -76.95 139.8 40.26 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 117.048 0.424 . . . . 0.0 110.57 176.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -102.4 108.69 20.11 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.499 175.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 30' ' ' THR . 7.8 ptm180 -110.31 136.5 49.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.269 0.557 . . . . 0.0 109.864 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.5 t -107.82 121.21 60.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.957 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.302 -178.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.91 -30.41 7.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.611 -177.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.1 154.17 51.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.339 . . . . 0.0 111.354 -176.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.3 mt -116.33 148.39 40.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.7 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -133.67 122.13 22.98 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.474 176.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 -90.22 140.25 29.86 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.751 176.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.167 0 CA-C-O 121.054 0.454 . . . . 0.0 110.706 178.287 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.402 ' CG ' ' H ' ' A' ' 64' ' ' TYR . 5.5 t70 . . . . . 0 CA--C 1.538 0.513 0 CA-C-O 121.048 0.452 . . . . 0.0 111.417 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.402 ' H ' ' CG ' ' A' ' 63' ' ' ASP . 71.5 t80 -59.71 -43.29 94.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.618 -172.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -53.98 -37.14 63.66 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -173.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.39 -41.43 63.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.88 0.372 . . . . 0.0 111.29 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.52 -34.69 76.32 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.179 177.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -58.38 -46.51 86.2 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.872 177.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.87 -49.6 56.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.217 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.39 -32.96 72.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.186 -178.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.475 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -62.72 -51.91 65.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.438 177.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -64.71 -36.28 83.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.733 -178.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.3 -36.52 78.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.156 0.503 . . . . 0.0 111.251 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -86.42 -3.29 58.98 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.078 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.07 26.52 52.64 Favored Glycine 0 N--CA 1.454 -0.164 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.426 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 74.9 mt -127.65 -178.21 4.39 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -143.09 176.85 8.79 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 173.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.7 t -82.06 101.92 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.966 0.413 . . . . 0.0 110.148 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.6 m -94.95 -17.24 7.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -178.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.535 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -165.17 172.12 40.71 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 119.996 -1.097 . . . . 0.0 113.158 -178.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' A' ' 107' ' ' TYR . 9.7 t -135.16 157.77 40.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 177.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -137.43 145.5 43.24 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.249 -0.58 . . . . 0.0 111.564 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 66.1 m170 -122.62 147.18 46.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.586 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -107.37 141.83 38.12 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 176.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.406 ' O ' ' HE1' ' A' ' 19' ' ' TYR . 20.1 m170 -106.98 140.42 21.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.414 178.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -98.49 -3.65 0.97 Allowed 'Trans proline' 0 N--CA 1.451 -0.986 0 C-N-CA 123.285 2.657 . . . . 0.0 112.086 173.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -151.82 136.34 16.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.332 -173.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 25.1 m80 66.07 160.5 0.13 Allowed Pre-proline 0 N--CA 1.471 0.605 0 O-C-N 123.886 0.742 . . . . 0.0 112.051 -178.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.32 -172.11 0.22 Allowed 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.134 2.556 . . . . 0.0 113.492 -178.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.458 ' HB2' ' HB2' ' A' ' 111' ' ' SER . . . -83.46 80.99 8.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.489 -177.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.508 ' HD3' ' CZ2' ' A' ' 123' ' ' TRP . 22.0 mmt180 -144.27 149.37 44.6 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 174.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -62.09 125.51 16.6 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.376 2.05 . . . . 0.0 113.11 -176.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.8 t -97.59 178.68 5.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.351 177.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.478 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -66.53 -49.51 66.26 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -173.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.8 m -77.86 -32.77 52.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.356 0.598 . . . . 0.0 109.685 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -59.47 -38.89 81.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.035 177.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.405 HD13 ' C ' ' A' ' 97' ' ' LEU . 3.3 tm? -69.19 -45.3 70.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.198 174.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 52.8 mt-10 -64.57 -26.05 68.24 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -175.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -80.47 4.5 18.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.853 0.358 . . . . 0.0 111.134 177.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -132.85 81.58 1.95 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.95 0.405 . . . . 0.0 110.614 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.5 t -110.32 2.78 19.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 122.197 0.999 . . . . 0.0 109.901 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -108.85 89.16 6.11 Favored Pre-proline 0 C--N 1.315 -0.923 0 CA-C-N 114.347 -1.297 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.54 ' HA ' HD23 ' A' ' 125' ' ' LEU . 43.2 Cg_endo -67.39 143.8 65.11 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.757 2.305 . . . . 0.0 112.594 -177.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.26 -43.48 0.73 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.158 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.535 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 61.8 m-85 -88.95 162.15 16.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.006 0.431 . . . . 0.0 110.993 -178.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.6 m -92.25 122.99 35.25 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 172.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.458 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 98.8 m-85 -102.47 114.33 28.43 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.143 0.497 . . . . 0.0 110.882 -174.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.1 t -98.66 126.34 51.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.949 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.1 mt -110.04 126.8 67.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 175.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.9 p -103.62 133.73 46.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.241 0.543 . . . . 0.0 110.751 -177.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.458 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 20.4 t -91.28 107.2 19.04 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.853 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 40.9 t -124.66 122.24 63.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 176.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 43.7 mtm105 -117.78 95.33 4.88 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.145 0.498 . . . . 0.0 110.941 -177.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.407 ' HA ' ' HE2' ' A' ' 19' ' ' TYR . 29.0 t70 49.33 74.92 0.17 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 114.584 -1.189 . . . . 0.0 111.693 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.415 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 81.17 -20.93 6.3 Favored Glycine 0 CA--C 1.521 0.413 0 CA-C-N 115.75 -0.659 . . . . 0.0 113.445 177.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -96.29 111.24 56.02 Favored Pre-proline 0 C--N 1.328 -0.351 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -176.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 5.8 Cg_exo -78.7 111.63 3.01 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 123.054 2.503 . . . . 0.0 110.757 173.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -88.67 -78.88 0.32 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.814 -173.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -144.71 159.15 43.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.136 0.493 . . . . 0.0 111.587 -172.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.533 HD21 ' HB ' ' A' ' 11' ' ' ILE . 6.9 mp -103.57 133.13 49.11 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.934 178.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.401 ' OG1' ' HB1' ' A' ' 90' ' ' ALA . 63.5 p -121.35 129.31 53.0 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 173.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.92 136.7 48.79 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.541 ' HB3' ' HB3' ' A' ' 132' ' ' PHE . 54.3 m95 -129.32 142.13 50.91 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.255 -176.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.4 127.68 52.11 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 174.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.54 HD23 ' HA ' ' A' ' 103' ' ' PRO . 43.6 tp -80.18 119.02 22.39 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.97 149.47 81.27 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.307 -178.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.77 -25.64 52.69 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.607 2.204 . . . . 0.0 111.88 177.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -74.23 -11.16 60.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.993 179.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 45.61 29.83 0.7 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.467 1.107 . . . . 0.0 112.632 -178.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 6.4 t -101.07 -20.31 15.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.986 0.422 . . . . 0.0 110.466 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -158.15 172.01 19.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.017 0.437 . . . . 0.0 110.935 -176.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.541 ' HB3' ' HB3' ' A' ' 123' ' ' TRP . 57.0 m-85 -106.83 155.09 20.1 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.397 172.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 61.5 m-70 -124.49 139.14 54.16 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 172.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -65.66 130.7 44.2 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.044 -176.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.53 167.3 10.22 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.16 179.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -118.76 137.62 53.24 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.276 0.56 . . . . 0.0 111.321 -173.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 38.3 mm -90.4 114.76 28.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.029 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.475 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 1.4 t -126.36 155.88 36.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.841 -178.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.409 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 78.5 mtp180 -87.44 144.33 35.53 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.61 -178.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 139' ' ' ARG . 3.5 Cg_exo -74.04 103.61 1.7 Allowed 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 122.925 2.416 . . . . 0.0 111.674 175.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.123 179.053 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.633 0.254 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.528 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 13.9 mptt -108.27 123.55 48.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.102 0.477 . . . . 0.0 111.09 176.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.4 t -159.39 173.89 15.56 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.526 177.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 51.8 p -102.78 152.18 38.42 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.646 0.26 . . . . 0.0 110.849 -178.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.432 ' HA ' ' HB2' ' A' ' 8' ' ' LEU . 12.5 Cg_endo -58.11 -27.68 80.84 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.915 2.41 . . . . 0.0 111.524 175.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -57.22 -44.81 84.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.739 175.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.461 ' O ' HG13 ' A' ' 11' ' ' ILE . 49.4 mm -75.27 -39.03 41.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.282 177.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.432 ' HB2' ' HA ' ' A' ' 5' ' ' PRO . 86.8 mt -56.98 -47.47 80.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.016 -178.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.413 ' O ' HG23 ' A' ' 13' ' ' VAL . 20.7 t70 -64.86 -38.27 90.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.871 0.367 . . . . 0.0 110.224 -178.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -59.32 -30.8 68.61 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.216 175.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 7' ' ' ILE . 63.8 mt -65.11 -42.69 95.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 175.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.453 ' HB3' ' CB ' ' A' ' 117' ' ' PRO . 29.3 mtm180 -63.19 -40.67 98.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.504 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 9' ' ' ASP . 89.3 t -56.71 -45.05 82.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.943 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 48.4 m80 -58.8 -38.27 78.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.344 -179.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.61 -48.26 63.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.426 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.57 -29.04 63.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 111.224 -178.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -73.71 -38.36 64.86 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.229 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.734 ' O ' ' HG2' ' A' ' 21' ' ' GLU . . . -84.28 -29.22 26.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.316 -0.857 . . . . 0.0 112.578 -174.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.466 ' CE2' ' HA ' ' A' ' 114' ' ' ASP . 41.3 t80 -46.41 135.79 7.32 Favored Pre-proline 0 N--CA 1.469 0.476 0 O-C-N 123.106 0.254 . . . . 0.0 111.056 -175.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.443 ' HA ' ' CG ' ' A' ' 19' ' ' TYR . 25.6 Cg_endo -91.27 -3.76 52.42 Favored 'Cis proline' 0 N--CA 1.46 -0.487 0 C-N-CA 124.19 -1.171 . . . . 0.0 114.445 4.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.734 ' HG2' ' O ' ' A' ' 18' ' ' ALA . 11.5 pt-20 -71.53 163.81 27.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 110.905 -175.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -75.01 98.79 3.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.066 0.46 . . . . 0.0 110.79 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.482 ' HA3' ' CB ' ' A' ' 18' ' ' ALA . . . -105.11 27.72 17.49 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.699 177.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.419 ' HB3' ' HA ' ' A' ' 83' ' ' HIS . 6.0 p -74.43 172.69 11.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.518 -0.341 . . . . 0.0 110.814 -179.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -171.68 -158.81 16.52 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.302 -0.952 . . . . 0.0 112.782 -179.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.476 ' HA ' ' HA ' ' A' ' 81' ' ' VAL . 89.8 m-85 -114.98 156.51 24.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.883 0.373 . . . . 0.0 110.529 -175.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.458 HD11 HG23 ' A' ' 108' ' ' VAL . 78.9 mt -94.07 119.68 33.27 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.595 179.007 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.43 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 76.9 mt -104.64 135.29 46.31 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.963 0.411 . . . . 0.0 109.909 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.457 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . -177.03 -150.04 8.11 Favored Glycine 0 N--CA 1.439 -1.104 0 C-N-CA 120.522 -0.847 . . . . 0.0 111.604 179.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.9 p -135.14 153.46 51.98 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.741 0.305 . . . . 0.0 110.526 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.2 t -90.81 118.93 37.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 175.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.0 p -79.3 173.44 12.58 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 -176.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -65.67 -16.28 63.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.469 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -66.98 -30.75 70.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.474 176.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.88 13.26 55.32 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 -173.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -100.68 169.13 9.24 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.522 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 3.0 m-20 -102.78 108.43 19.66 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -176.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.528 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 12.4 ttp180 -96.35 110.39 22.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.526 -177.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.9 t -85.31 124.24 39.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.292 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.21 -20.71 6.11 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.558 -178.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.43 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -139.87 154.64 47.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.897 0.38 . . . . 0.0 111.403 -178.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.4 mt -118.79 127.5 53.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.289 -179.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -123.51 121.6 36.07 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.164 -0.309 . . . . 0.0 110.164 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -73.35 139.26 45.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.274 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 121.398 0.618 . . . . 0.0 110.426 177.395 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 . . . . . 0 C--O 1.236 0.353 0 CA-C-O 120.627 0.251 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -57.36 -40.35 77.93 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.874 178.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -56.15 -38.05 70.33 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.216 0.322 . . . . 0.0 111.776 -177.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.56 -39.46 81.02 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.775 0.322 . . . . 0.0 111.174 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.69 -39.59 76.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.997 0.427 . . . . 0.0 110.143 176.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -66.12 -44.45 84.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.783 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.5 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -60.88 -53.64 54.89 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.029 -178.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.94 -34.53 77.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.123 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.401 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -62.68 -48.88 77.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.092 176.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -67.57 -32.5 73.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.516 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 50.3 mt-10 -60.97 -39.4 89.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.11 0.481 . . . . 0.0 110.8 174.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -82.69 -29.98 29.53 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.66 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.3 26.16 6.71 Favored Glycine 0 C--O 1.229 -0.209 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.098 -178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 70.3 mt -126.51 177.65 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -134.52 175.02 9.91 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 173.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.415 HG13 ' HB3' ' A' ' 26' ' ' PHE . 20.8 t -85.04 103.84 12.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.423 -176.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.522 ' HB ' ' HB3' ' A' ' 37' ' ' ASN . 27.2 m -100.39 4.99 10.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.741 -175.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.401 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . 170.3 -172.11 43.84 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 119.795 -1.193 . . . . 0.0 112.906 178.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.476 ' HA ' ' HA ' ' A' ' 26' ' ' PHE . 2.9 t -138.85 150.88 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -136.93 136.69 38.82 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.419 ' HA ' ' HB3' ' A' ' 24' ' ' CYS . 28.8 p-80 -147.94 137.05 22.13 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.96 0.41 . . . . 0.0 111.274 -177.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 m -106.76 138.44 42.93 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.487 -177.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 1.4 p80 -166.9 142.08 3.46 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.109 170.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 5.2 Cg_endo -88.88 116.39 0.8 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 123.554 2.836 . . . . 0.0 110.162 171.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -165.5 -55.18 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.418 0.628 . . . . 0.0 110.696 -169.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -141.35 154.73 67.52 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.001 178.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -67.43 84.0 0.37 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.731 2.287 . . . . 0.0 113.56 -171.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 58.52 23.13 10.45 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.302 175.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.556 ' HD3' ' O ' ' A' ' 92' ' ' PRO . 0.2 OUTLIER -127.07 152.25 75.48 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 175.34 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.556 ' O ' ' HD3' ' A' ' 91' ' ' ARG . 14.2 Cg_endo -55.94 154.84 25.42 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 123.078 2.519 . . . . 0.0 112.903 -177.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.5 t -97.34 -175.84 3.34 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -60.49 -43.25 97.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.01 0.433 . . . . 0.0 109.846 176.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.8 m -61.3 -39.56 90.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.103 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.414 ' OD2' ' NE2' ' A' ' 83' ' ' HIS . 6.1 m-20 -59.76 -43.45 94.31 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.212 178.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.34 -45.01 81.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.773 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 44.0 mt-10 -60.44 -39.02 85.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.309 -0.86 . . . . 0.0 112.717 -176.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -109.79 20.67 17.8 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -172.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -108.3 103.41 12.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.987 0.423 . . . . 0.0 110.548 174.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.9 m -142.79 20.52 1.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.187 0.518 . . . . 0.0 110.603 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -130.59 86.45 52.94 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.273 0.558 . . . . 0.0 111.319 -178.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.41 177.64 3.76 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 123.151 2.567 . . . . 0.0 112.169 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 90.33 -22.13 28.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.73 -177.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.401 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 89.8 m-85 -100.8 143.07 31.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.262 -0.469 . . . . 0.0 109.838 175.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.1 m -91.34 123.99 35.2 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -93.78 109.03 20.72 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.339 -178.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.458 HG23 HD11 ' A' ' 27' ' ' LEU . 63.3 t -95.22 116.84 37.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-O 121.229 0.538 . . . . 0.0 110.117 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.8 mt -110.98 117.97 56.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.197 177.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.652 ' HB ' HD23 ' A' ' 120' ' ' LEU . 2.8 p -110.12 134.65 51.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.259 -179.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.517 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 29.7 t -81.34 107.36 14.06 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.151 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 65.9 t -112.98 116.61 53.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -108.97 87.65 2.54 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.447 -176.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.466 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 35.7 t70 67.69 -71.79 0.1 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 114.828 -1.078 . . . . 0.0 111.468 179.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -134.51 6.41 4.56 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.598 -0.81 . . . . 0.0 111.82 178.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -115.27 110.79 45.01 Favored Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -176.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.453 ' CB ' ' HB3' ' A' ' 12' ' ' ARG . 7.5 Cg_exo -73.42 101.71 1.39 Allowed 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.725 2.283 . . . . 0.0 110.627 171.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.517 ' HB3' ' HB3' ' A' ' 111' ' ' SER . 42.5 tt0 -74.25 -70.38 0.4 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.666 -172.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -142.83 146.59 34.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.007 0.432 . . . . 0.0 112.163 -174.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.652 HD23 ' HB ' ' A' ' 110' ' ' VAL . 68.6 mt -100.47 122.2 42.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.092 174.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 38.5 p -129.78 132.54 46.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.775 0.322 . . . . 0.0 110.467 176.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.85 135.04 51.37 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.277 0.561 . . . . 0.0 110.499 -178.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.401 ' CZ2' ' HD3' ' A' ' 134' ' ' ARG . 73.1 m95 -123.44 140.53 52.91 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.102 -174.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -111.28 127.63 55.69 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.461 173.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 55.8 tp -80.5 120.97 25.18 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . . . -58.73 132.47 86.17 Favored Pre-proline 0 N--CA 1.447 -0.576 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.462 176.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 126' ' ' ALA . 53.1 Cg_exo -56.32 -26.36 61.55 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.605 2.203 . . . . 0.0 111.57 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.12 -18.34 65.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.91 176.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 45.4 mtm180 60.08 41.53 17.06 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.294 0.568 . . . . 0.0 110.811 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.3 t -103.14 -32.66 9.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.725 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -168.96 178.8 4.35 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.564 -174.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -105.19 152.73 22.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.432 173.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -123.78 138.01 54.58 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 173.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.401 ' HD3' ' CZ2' ' A' ' 123' ' ' TRP . 2.7 ttp180 -86.17 126.74 34.46 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.506 -178.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -112.23 149.05 32.83 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.497 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -84.72 140.8 31.02 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.875 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 66.8 mt -83.81 115.18 25.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.469 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 1.5 t -108.66 155.33 9.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.077 -174.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -105.78 129.65 24.29 Favored Pre-proline 0 C--N 1.311 -1.068 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.018 -176.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.67 140.3 61.54 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.375 2.05 . . . . 0.0 111.831 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.232 177.465 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ttt . . . . . 0 N--CA 1.483 1.207 0 CA-C-O 120.77 0.319 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -107.26 135.75 48.24 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 174.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.426 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 14.6 t -150.97 171.77 16.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.635 0.255 . . . . 0.0 110.678 -177.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.42 ' OG1' HG12 ' A' ' 7' ' ' ILE . 46.4 p -106.96 151.72 40.73 Favored Pre-proline 0 N--CA 1.449 -0.499 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.539 -178.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -57.47 -27.76 77.71 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.652 2.235 . . . . 0.0 111.384 175.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.421 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 21.5 t70 -60.08 -44.91 94.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.933 177.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.579 ' O ' HG12 ' A' ' 11' ' ' ILE . 40.7 mm -62.45 -45.4 98.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.749 178.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.575 HD11 HG21 ' A' ' 137' ' ' ILE . 83.1 mt -62.58 -37.81 87.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.138 -179.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.632 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 16.1 t70 -67.24 -42.55 83.8 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 178.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 49.9 mt-30 -60.71 -30.7 70.11 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.844 175.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.579 HG12 ' O ' ' A' ' 7' ' ' ILE . 42.5 mm -62.34 -46.7 95.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.77 177.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.632 ' HG2' ' O ' ' A' ' 9' ' ' ASP . 25.7 ptt180 -65.93 -31.36 72.24 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.1 178.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 9' ' ' ASP . 99.2 t -68.87 -47.38 76.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.774 178.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.523 ' HD2' ' HA ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -61.78 -28.32 69.37 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 121.134 -0.226 . . . . 0.0 110.704 -177.297 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.45 ' O ' ' HB2' ' A' ' 19' ' ' TYR . . . -66.45 -49.76 54.29 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.112 179.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.83 -34.34 64.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.756 0.312 . . . . 0.0 111.049 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -71.04 -39.46 72.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.19 0.519 . . . . 0.0 111.928 -175.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.488 ' HB1' ' HA3' ' A' ' 23' ' ' GLY . . . -85.69 -27.78 25.1 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.751 -176.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.567 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 0.1 OUTLIER -60.15 150.17 72.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.795 -178.592 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.567 ' HA ' ' CG ' ' A' ' 19' ' ' TYR . 88.4 Cg_endo -83.22 -3.49 53.38 Favored 'Cis proline' 0 C--N 1.345 0.382 0 C-N-CA 123.811 -1.329 . . . . 0.0 113.591 3.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.69 161.41 30.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.189 0.519 . . . . 0.0 111.435 -177.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -77.17 94.91 4.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.569 -177.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.488 ' HA3' ' HB1' ' A' ' 18' ' ' ALA . . . -114.98 77.54 0.26 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.424 179.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.3 m -86.23 -164.69 1.08 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -177.93 -177.44 46.71 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 119.793 -1.194 . . . . 0.0 113.151 178.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -118.77 154.19 33.21 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.693 0.283 . . . . 0.0 110.473 -177.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.476 HD11 HG23 ' A' ' 108' ' ' VAL . 75.5 mt -94.32 118.71 32.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.013 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.618 HD22 ' HB2' ' A' ' 71' ' ' ALA . 58.2 mt -104.75 134.52 47.76 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.92 -154.96 13.59 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 120.294 -0.955 . . . . 0.0 112.318 -178.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 p -135.82 157.85 45.83 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 120.884 0.373 . . . . 0.0 110.512 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.58 106.05 16.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.44 0.638 . . . . 0.0 109.838 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.3 p -74.16 128.35 35.31 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.832 -177.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.7 t70 68.53 1.27 2.9 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 123.705 0.628 . . . . 0.0 110.346 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.6 t70 65.11 30.78 11.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.208 -175.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -133.15 -50.84 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 114.535 -1.212 . . . . 0.0 112.721 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -107.16 161.92 14.33 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -109.23 120.19 41.78 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.678 0.275 . . . . 0.0 111.016 -173.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -100.81 123.22 44.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.835 0.35 . . . . 0.0 110.664 176.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.432 HG11 HD22 ' A' ' 27' ' ' LEU . 54.6 t -89.1 122.79 40.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 174.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.82 -31.5 5.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.767 0.318 . . . . 0.0 111.401 -177.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.443 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -134.62 160.22 38.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.859 0.361 . . . . 0.0 111.161 -177.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.9 mt -126.39 138.36 53.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.259 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 48.5 t60 -119.07 126.99 52.96 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 174.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.7 mtt-85 -85.47 137.28 33.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.295 -177.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.517 178.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 . . . . . 0 C--O 1.234 0.281 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -69.39 -46.0 67.93 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.739 -178.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -57.31 -39.13 75.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.881 0.372 . . . . 0.0 111.194 -177.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.69 -36.09 83.16 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.216 176.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.38 -41.02 77.07 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.024 0.44 . . . . 0.0 110.382 176.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.1 -38.1 81.94 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.265 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.44 -42.04 99.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.926 177.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.428 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . . . -63.78 -32.65 74.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.904 179.046 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.618 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -64.68 -48.81 73.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.864 175.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -60.44 -36.75 78.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.812 178.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.428 ' OE1' ' HA ' ' A' ' 70' ' ' ALA . 42.0 mt-10 -54.17 -43.36 70.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.387 0.613 . . . . 0.0 111.033 175.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -95.42 2.83 54.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.093 -0.958 . . . . 0.0 112.232 -174.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.68 27.9 73.52 Favored Glycine 0 CA--C 1.517 0.194 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.146 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.3 mt -116.88 -174.46 2.58 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -142.54 172.69 12.35 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 172.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.9 t -83.94 107.29 15.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 -176.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.4 m -96.28 -4.87 10.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.523 -176.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.401 ' HA3' HD12 ' A' ' 27' ' ' LEU . . . 178.27 -175.92 47.71 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.616 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.3 t -140.6 154.19 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.458 ' HB3' ' HB ' ' A' ' 108' ' ' VAL . 53.7 p90 -133.83 136.49 44.46 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.026 0.441 . . . . 0.0 109.886 175.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -142.54 133.97 26.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.696 -176.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.2 m -106.48 128.66 54.25 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.548 -176.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.476 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 3.3 p-80 -125.24 144.59 47.95 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.141 177.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 2.7 Cg_exo -76.14 157.85 37.9 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.829 2.353 . . . . 0.0 111.415 175.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.2 t70 71.21 152.24 0.11 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.906 0.754 . . . . 0.0 111.403 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.441 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 36.5 m80 67.44 143.13 0.08 OUTLIER Pre-proline 0 N--CA 1.468 0.455 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.149 -174.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 88' ' ' HIS . 5.9 Cg_exo -78.84 78.02 3.86 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.814 2.342 . . . . 0.0 111.473 178.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.546 ' H ' ' HB2' ' A' ' 111' ' ' SER . . . 61.13 -154.49 0.36 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.069 -177.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.434 ' HG2' ' CZ2' ' A' ' 123' ' ' TRP . 44.4 mtm180 65.5 148.06 0.11 Allowed Pre-proline 0 C--O 1.236 0.354 0 O-C-N 123.622 0.577 . . . . 0.0 111.89 -179.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -62.67 124.83 14.83 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.376 2.051 . . . . 0.0 112.0 178.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.405 ' H ' ' HB3' ' A' ' 96' ' ' ASP . 21.8 m -85.25 177.82 7.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.674 176.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.23 -49.28 77.75 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -172.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.5 m -79.92 -33.33 39.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.48 0.657 . . . . 0.0 109.89 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.405 ' HB3' ' H ' ' A' ' 93' ' ' SER . 18.7 t70 -60.25 -42.28 94.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.165 178.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.749 ' HG ' ' HE1' ' A' ' 132' ' ' PHE . 6.2 tt -70.23 -42.09 72.7 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.499 177.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -58.39 -39.57 80.02 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -175.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -92.65 8.37 39.38 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -174.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.64 74.61 10.24 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.384 0.612 . . . . 0.0 109.41 172.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.93 19.32 20.72 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.936 -171.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -119.76 86.82 36.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.842 0.353 . . . . 0.0 111.679 -177.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -65.34 156.55 62.62 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.939 2.426 . . . . 0.0 111.882 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.97 -28.76 13.75 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.651 -177.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -90.54 143.95 26.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.899 0.38 . . . . 0.0 110.614 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.5 m -92.01 132.19 36.73 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 175.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -106.44 119.69 39.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.022 0.439 . . . . 0.0 111.449 -174.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.476 HG23 HD11 ' A' ' 27' ' ' LEU . 58.5 t -96.05 121.66 46.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.64 173.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.4 mm -110.23 118.43 57.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.764 -178.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 4.0 p -132.8 128.74 57.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.278 178.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.546 ' HB2' ' H ' ' A' ' 90' ' ' ALA . 21.5 t -88.97 107.51 19.06 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.944 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.475 ' HA ' ' HA ' ' A' ' 117' ' ' PRO . 40.1 t -105.36 116.26 48.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 177.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.444 ' C ' ' H ' ' A' ' 115' ' ' GLY . 56.0 mtp180 -125.33 120.02 29.99 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.202 -171.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 113' ' ' ARG . 22.8 t70 72.08 -16.67 0.4 Allowed 'General case' 0 N--CA 1.472 0.664 0 O-C-N 123.845 0.716 . . . . 0.0 111.688 179.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.444 ' H ' ' C ' ' A' ' 113' ' ' ARG . . . 138.7 -11.98 3.43 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -177.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.435 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . . . -107.28 119.92 49.37 Favored Pre-proline 0 N--CA 1.453 -0.277 0 CA-C-O 120.727 0.299 . . . . 0.0 111.334 -178.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 112' ' ' VAL . 4.4 Cg_exo -77.85 113.37 3.45 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 123.224 2.616 . . . . 0.0 111.216 173.131 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -83.31 -69.19 0.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.892 0.377 . . . . 0.0 111.381 -176.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' A' ' 90' ' ' ALA . . . -109.52 128.91 55.53 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.503 -175.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.66 124.4 50.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.398 175.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 28.2 p -138.07 137.83 38.17 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 -176.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -110.11 133.74 52.9 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.488 ' CZ3' ' HB2' ' A' ' 134' ' ' ARG . 60.3 m95 -133.04 140.62 47.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.814 -174.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.63 133.45 49.46 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 172.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 65.4 tp -85.06 140.71 30.79 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.698 -176.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.15 142.04 92.38 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 173.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -51.83 -40.57 65.87 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.881 2.387 . . . . 0.0 112.545 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -86.53 1.26 52.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.796 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 12.7 mtm180 61.24 30.43 19.2 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.856 -178.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.6 m -63.95 -43.99 94.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.241 177.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.08 -173.61 3.5 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.947 -177.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.749 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 59.9 m-85 -114.75 145.43 42.1 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.526 172.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -122.59 124.59 43.85 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.399 0.619 . . . . 0.0 110.071 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.488 ' HB2' ' CZ3' ' A' ' 123' ' ' TRP . 11.6 tpt180 -73.77 139.57 45.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.501 -1.227 . . . . 0.0 111.474 -174.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -131.24 156.27 45.68 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 175.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -96.93 165.72 11.96 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -178.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.575 HG21 HD11 ' A' ' 8' ' ' LEU . 47.2 mm -84.45 113.24 22.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.033 0.444 . . . . 0.0 110.99 -174.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 14.2 m -115.14 141.85 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.243 175.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -85.55 157.54 58.22 Favored Pre-proline 0 N--CA 1.442 -0.861 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.405 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 3' ' ' THR . 45.9 Cg_exo -55.07 115.34 2.37 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.135 1.89 . . . . 0.0 111.027 174.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 N--CA 1.461 0.12 0 O-C-N 123.823 0.702 . . . . 0.0 109.968 179.784 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.534 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 16.7 ttt . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.774 0.321 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -101.23 136.46 41.04 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 174.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.0 t -157.72 173.4 16.88 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 175.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.7 p -112.7 154.06 44.87 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.778 0.323 . . . . 0.0 110.927 -176.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.52 ' HA ' HD12 ' A' ' 8' ' ' LEU . 13.0 Cg_endo -57.4 -29.59 84.94 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.059 2.506 . . . . 0.0 112.165 178.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -60.63 -43.14 97.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.253 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.462 ' O ' HG13 ' A' ' 11' ' ' ILE . 49.5 mm -68.22 -43.41 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.393 176.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.66 HD11 HG21 ' A' ' 137' ' ' ILE . 85.4 mt -56.08 -42.25 76.43 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.119 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.685 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 27.2 t70 -67.64 -42.47 82.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.32 -179.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -58.56 -30.86 67.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.225 176.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 7' ' ' ILE . 70.5 mt -71.88 -50.27 39.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.815 0.34 . . . . 0.0 110.768 175.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.685 ' HG2' ' HA ' ' A' ' 9' ' ' ASP . 5.9 ptp180 -66.19 -37.04 84.65 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.947 -174.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 9' ' ' ASP . 70.6 t -64.36 -49.0 82.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-O 120.743 0.306 . . . . 0.0 110.737 -178.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -67.35 -28.86 68.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.615 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.63 -42.55 87.69 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.417 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.25 -34.44 65.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.128 0.489 . . . . 0.0 110.414 178.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -63.71 -37.37 87.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.694 176.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.44 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -107.41 48.72 0.83 Allowed 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.493 -178.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.74 ' CE2' ' HA ' ' A' ' 114' ' ' ASP . 67.1 t80 -90.64 142.0 27.55 Favored Pre-proline 0 C--N 1.326 -0.413 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 177.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.681 ' HA ' ' CD1' ' A' ' 19' ' ' TYR . 84.2 Cg_endo -83.97 -12.6 39.9 Favored 'Cis proline' 0 C--N 1.349 0.591 0 C-N-CA 123.751 -1.354 . . . . 0.0 113.548 2.321 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.481 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 7.8 pt-20 -168.82 114.79 0.61 Allowed 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.138 0.494 . . . . 0.0 111.536 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 28.2 mm-40 -168.35 8.04 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.07 174.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -146.66 39.23 1.1 Allowed Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 119.734 -1.222 . . . . 0.0 114.142 -171.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.0 p -83.8 -175.72 5.94 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 172.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.488 ' HA2' ' HB2' ' A' ' 45' ' ' ALA . . . 161.75 -162.62 34.16 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 119.69 -1.243 . . . . 0.0 113.391 177.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -112.1 160.06 17.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.894 0.378 . . . . 0.0 110.868 -175.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.0 mt -100.76 119.87 39.27 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.202 178.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.5 mt -104.87 134.2 48.39 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.79 -159.13 21.12 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 120.193 -1.003 . . . . 0.0 111.947 -177.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.475 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 0.7 OUTLIER -136.07 161.15 36.49 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 120.909 0.385 . . . . 0.0 110.631 -179.359 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.6 t -88.09 106.85 16.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 174.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.405 ' HB ' ' HD2' ' A' ' 38' ' ' ARG . 7.2 t -91.34 -40.26 11.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.274 -163.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -74.09 -11.43 60.31 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.694 0.759 . . . . 0.0 109.192 173.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.4 t70 70.46 9.7 7.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 113.721 -1.582 . . . . 0.0 108.713 -171.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -136.82 -24.45 0.47 Allowed Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 114.09 -1.413 . . . . 0.0 111.758 176.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -131.47 154.64 48.51 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.534 ' O ' ' HA ' ' A' ' 1' ' ' MET . 9.2 p30 -94.08 147.94 22.65 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 121.524 0.678 . . . . 0.0 112.232 -170.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.475 ' HG2' ' O ' ' A' ' 30' ' ' THR . 5.2 ptm180 -116.14 146.13 42.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.255 171.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 82.0 t -103.59 119.72 52.61 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.57 -33.57 3.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.464 -175.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.72 133.86 51.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.164 0.507 . . . . 0.0 111.407 -176.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.2 mt -98.82 150.23 22.07 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.096 176.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -146.85 137.57 23.84 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 174.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -91.87 138.05 31.86 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.093 -175.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.488 ' HB2' ' HA2' ' A' ' 25' ' ' GLY . . . . . . . . 0 C--N 1.323 -0.572 0 CA-C-O 121.042 0.449 . . . . 0.0 110.668 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 C--O 1.235 0.302 0 CA-C-O 121.158 0.504 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -55.54 -43.01 75.41 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.57 178.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -35.77 81.85 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.899 -178.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.3 -44.42 87.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.861 0.362 . . . . 0.0 110.902 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.04 -35.45 76.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.083 175.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.19 -44.2 92.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.793 177.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.29 -47.8 82.52 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.423 176.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.65 -34.96 76.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.76 178.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.69 -51.62 67.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.835 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -64.82 -35.1 80.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.665 0.269 . . . . 0.0 111.09 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -62.24 -40.87 97.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.183 0.516 . . . . 0.0 111.94 176.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -83.27 -25.39 31.65 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.644 -177.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.33 30.14 11.32 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -173.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 71.7 mt -123.67 -173.85 2.84 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -176.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -141.11 171.8 13.56 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 171.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.0 t -85.23 107.96 16.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.943 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 35.3 m -93.71 -10.07 9.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.687 -173.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.467 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . 173.62 -168.8 41.8 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 119.795 -1.193 . . . . 0.0 113.15 179.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.5 t -137.52 156.68 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.411 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 53.2 p90 -131.66 137.2 48.23 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.4 0.619 . . . . 0.0 111.045 176.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.8 m170 -118.56 151.61 37.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.481 -178.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.8 p -104.96 130.97 53.03 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.853 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.469 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 0.7 OUTLIER -120.77 147.0 44.92 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.707 -179.388 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 2.7 Cg_exo -76.99 -162.45 0.17 Allowed 'Trans proline' 0 CA--C 1.531 0.332 0 C-N-CA 123.881 3.054 . . . . 0.0 113.174 -178.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.457 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 26.1 t70 -46.51 157.08 0.15 Allowed 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.219 1.008 . . . . 0.0 112.245 -179.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.459 ' HB3' ' HD2' ' A' ' 89' ' ' PRO . 41.0 m80 69.1 157.74 0.15 Allowed Pre-proline 0 N--CA 1.474 0.75 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.863 -170.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.459 ' HD2' ' HB3' ' A' ' 88' ' ' HIS . 19.7 Cg_endo -59.36 125.83 19.09 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.161 2.574 . . . . 0.0 112.587 -175.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.485 ' HB1' HG22 ' A' ' 109' ' ' ILE . . . -75.87 97.03 3.82 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.614 -174.447 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -110.08 146.44 34.19 Favored Pre-proline 0 C--N 1.318 -0.796 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 164.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -56.17 128.75 31.45 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.698 2.265 . . . . 0.0 113.342 -173.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.9 m -79.28 -179.19 6.61 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.702 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.6 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -60.87 -47.62 85.56 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.702 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 89.4 m -62.76 -31.93 72.97 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.699 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -57.24 -45.0 84.35 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.127 0.489 . . . . 0.0 109.924 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.41 ' O ' HD13 ' A' ' 97' ' ' LEU . 1.6 tm? -70.05 -43.84 70.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.164 177.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.6 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 47.0 mt-10 -52.56 -40.39 62.52 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.424 -174.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -100.73 6.18 43.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.009 0.433 . . . . 0.0 111.171 -174.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.44 65.57 9.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.253 0.549 . . . . 0.0 110.765 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.552 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 1.2 m -99.21 26.71 5.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.431 -179.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.408 ' HB3' ' CD1' ' A' ' 105' ' ' PHE . 80.8 m-85 -111.44 87.08 7.32 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.052 -178.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.552 ' HD3' ' O ' ' A' ' 101' ' ' THR . 7.8 Cg_exo -72.48 124.01 9.54 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 122.632 2.221 . . . . 0.0 112.078 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 101.76 12.95 33.46 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.002 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.467 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 19.3 m-85 -112.15 148.1 34.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.802 0.334 . . . . 0.0 110.518 179.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 21.7 m -95.85 129.97 42.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.001 176.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -106.37 111.45 24.04 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.848 0.356 . . . . 0.0 110.864 -177.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 82' ' ' TYR . 60.0 t -99.06 124.71 52.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.009 0.433 . . . . 0.0 110.145 177.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.485 HG22 ' HB1' ' A' ' 90' ' ' ALA . 53.1 mt -120.26 121.69 66.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.83 178.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.523 HG23 ' HG ' ' A' ' 120' ' ' LEU . 7.2 p -103.68 134.42 44.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.453 0.644 . . . . 0.0 110.924 -177.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.6 m -85.84 106.82 17.34 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.035 178.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.1 t -113.43 114.8 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.057 0.456 . . . . 0.0 110.142 178.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.473 HH11 ' HD3' ' A' ' 113' ' ' ARG . 1.0 OUTLIER -98.75 90.01 4.54 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.366 -179.137 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.74 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 17.4 t70 56.32 28.67 13.75 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.59 175.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.406 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 114.66 -7.92 22.12 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.54 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -106.8 101.57 37.6 Favored Pre-proline 0 C--N 1.322 -0.629 0 O-C-N 122.787 -0.243 . . . . 0.0 110.639 176.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 5.5 Cg_exo -76.98 110.15 2.98 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 123.03 2.487 . . . . 0.0 111.227 177.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -92.92 -68.55 0.79 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.029 0.442 . . . . 0.0 111.471 -174.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -115.74 142.1 47.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.334 -174.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.523 ' HG ' HG23 ' A' ' 110' ' ' VAL . 6.6 mp -114.32 122.57 47.11 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.393 -0.821 . . . . 0.0 108.949 174.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 49.9 p -119.62 135.54 54.76 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.628 -175.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.79 138.47 46.11 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 121.153 0.501 . . . . 0.0 110.035 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.444 ' HB3' ' HB3' ' A' ' 132' ' ' PHE . 77.0 m95 -131.31 139.13 49.5 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.703 -175.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.3 132.95 49.99 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.57 174.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 60.1 tp -80.48 131.97 35.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.687 -177.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.35 143.33 98.71 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.799 175.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_exo -52.28 -39.57 72.01 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.953 2.435 . . . . 0.0 112.924 -177.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -92.11 10.29 29.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 -177.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 60.55 24.42 14.1 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.099 0.476 . . . . 0.0 110.677 -177.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.2 m -63.26 -38.35 90.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.846 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -171.74 -175.53 1.57 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.436 -175.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.444 ' HB3' ' HB3' ' A' ' 123' ' ' TRP . 63.2 m-85 -106.75 156.61 18.47 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 170.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -121.09 137.31 54.72 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 22.4 tpt85 -81.94 135.91 35.35 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 114.622 -1.172 . . . . 0.0 111.386 -172.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -146.8 155.99 42.78 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 114.741 -1.118 . . . . 0.0 108.913 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -106.77 171.44 7.36 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.66 HG21 HD11 ' A' ' 8' ' ' LEU . 50.4 mm -83.91 119.71 33.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.021 0.439 . . . . 0.0 111.043 -174.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 11.8 m -109.49 144.67 17.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.421 177.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -91.19 157.22 43.08 Favored Pre-proline 0 C--N 1.318 -0.803 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.122 -179.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -67.14 86.02 0.32 Allowed 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.201 1.934 . . . . 0.0 112.592 178.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--N 1.318 -0.798 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.973 179.394 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.638 ' HA ' ' O ' ' A' ' 36' ' ' ASP . 20.8 ttt . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 120.686 0.279 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -100.5 122.14 42.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.393 176.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.534 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 9.7 t -158.64 167.01 30.69 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.827 175.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.424 ' OG1' HG12 ' A' ' 7' ' ' ILE . 17.2 p -98.85 153.84 37.66 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 120.838 0.351 . . . . 0.0 111.318 -176.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -54.53 -31.94 71.76 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.0 2.466 . . . . 0.0 111.937 174.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -61.75 -46.71 88.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.6 176.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.519 ' O ' HG13 ' A' ' 11' ' ' ILE . 44.9 mm -63.35 -44.46 99.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.22 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.28 -40.89 83.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.778 177.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -67.28 -43.55 81.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.401 178.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -56.6 -36.59 69.57 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.435 176.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 7' ' ' ILE . 81.3 mt -58.55 -47.0 89.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.084 0.469 . . . . 0.0 110.125 176.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.1 mtm180 -65.13 -46.78 79.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.123 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.0 t -69.03 -48.08 71.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.606 -176.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.24 -28.65 68.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.58 0.229 . . . . 0.0 110.951 -176.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.25 -43.49 98.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.509 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.496 ' HB1' ' HA2' ' A' ' 115' ' ' GLY . . . -73.24 -29.09 62.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.122 0.487 . . . . 0.0 110.491 177.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.86 -37.64 87.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.003 178.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.66 -38.95 80.82 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.677 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.769 ' HE2' ' HB ' ' A' ' 112' ' ' VAL . 23.1 m-30 -69.6 156.11 92.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.876 -176.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.468 ' HA ' ' HB3' ' A' ' 19' ' ' TYR . 2.8 Cg_exo -76.54 -3.14 25.32 Favored 'Cis proline' 0 C--N 1.347 0.456 0 C-N-CA 124.485 -1.048 . . . . 0.0 113.243 4.176 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -73.92 -173.19 1.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.264 177.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.81 -175.22 3.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.674 0.273 . . . . 0.0 111.049 178.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.99 91.79 1.62 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.47 -175.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.4 m -78.96 -163.8 0.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.695 0.283 . . . . 0.0 111.147 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -153.54 -171.81 21.08 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.346 -0.93 . . . . 0.0 112.711 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.441 ' HB3' HG13 ' A' ' 78' ' ' VAL . 94.9 m-85 -114.28 161.4 17.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.683 0.278 . . . . 0.0 110.808 -177.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.662 HD11 HG23 ' A' ' 108' ' ' VAL . 86.4 mt -94.51 122.63 37.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.72 178.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.612 HD22 ' HB2' ' A' ' 71' ' ' ALA . 58.3 mt -104.44 131.69 51.52 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.933 0.397 . . . . 0.0 110.183 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.552 ' HA2' HD13 ' A' ' 76' ' ' LEU . . . 175.34 -145.48 7.81 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 120.389 -0.91 . . . . 0.0 111.948 -179.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -135.98 152.29 50.8 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.701 0.286 . . . . 0.0 111.412 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.7 t -89.97 123.03 41.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 176.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -114.24 119.17 36.13 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -175.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.9 t70 56.71 -85.85 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 114.147 -1.388 . . . . 0.0 113.61 166.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -88.22 -20.64 25.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.017 0.437 . . . . 0.0 111.358 -174.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.2 22.69 7.04 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.44 -0.886 . . . . 0.0 111.044 -174.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.638 ' O ' ' HA ' ' A' ' 1' ' ' MET . 25.6 t70 -66.12 -35.95 81.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.478 0.656 . . . . 0.0 109.677 176.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 75.32 130.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.314 -1.312 . . . . 0.0 112.962 173.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 38' ' ' ARG . 36.7 ttt180 -112.19 106.5 15.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.775 -1.102 . . . . 0.0 109.486 -179.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 76.4 t -98.88 115.67 39.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.193 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.43 2.9 10.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.993 -175.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.51 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -149.25 140.69 23.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.047 0.451 . . . . 0.0 111.583 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.0 mt -119.57 137.04 54.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.284 177.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -141.94 135.03 28.99 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.099 0.476 . . . . 0.0 110.2 177.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -79.57 138.65 37.54 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.93 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.419 0 CA-C-O 121.173 0.511 . . . . 0.0 110.798 179.799 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 . . . . . 0 CA--C 1.519 -0.25 0 CA-C-O 121.265 0.555 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -60.72 -52.41 65.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.647 -172.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.43 -35.06 71.52 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -176.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.82 -39.22 80.14 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.959 0.409 . . . . 0.0 110.644 178.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.58 -36.93 76.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.925 174.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -59.95 -48.72 80.56 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.865 177.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.425 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -56.56 -52.74 63.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.763 178.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.73 -39.74 89.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.914 178.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.612 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -59.92 -49.54 77.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.657 178.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.91 -33.55 75.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.131 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 36.2 mm-40 -60.93 -43.47 98.58 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 175.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -76.89 -37.43 55.5 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 177.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.29 28.39 3.83 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 -177.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.552 HD13 ' HA2' ' A' ' 29' ' ' GLY . 61.6 mt -126.73 178.87 5.66 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -176.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -135.15 174.0 11.1 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 173.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.441 HG13 ' HB3' ' A' ' 26' ' ' PHE . 46.4 t -78.81 106.26 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.019 -179.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.6 m -101.15 -2.54 9.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.465 -176.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.498 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -179.94 -173.18 44.71 Favored Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 120.031 -1.081 . . . . 0.0 112.505 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.0 t -138.2 156.15 30.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -131.94 137.35 47.91 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.888 0.375 . . . . 0.0 110.255 176.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -130.7 132.76 45.56 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.249 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.54 ' HA ' ' O ' ' A' ' 110' ' ' VAL . 48.2 p -106.88 141.22 38.45 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.089 178.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -98.91 140.09 21.5 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 175.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -102.83 -4.13 0.28 Allowed 'Trans proline' 0 N--CA 1.455 -0.769 0 C-N-CA 123.224 2.616 . . . . 0.0 113.363 176.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -128.71 -65.67 0.87 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.08 -172.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -84.3 157.71 61.76 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.27 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.38 -164.14 0.13 Allowed 'Trans proline' 0 C--O 1.238 0.5 0 C-N-CA 123.161 2.574 . . . . 0.0 114.034 -173.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.21 -173.8 0.73 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.837 -178.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.488 ' HG3' ' CZ2' ' A' ' 123' ' ' TRP . 0.0 OUTLIER 66.16 144.65 0.09 OUTLIER Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.372 -173.234 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.63 137.63 27.92 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.579 2.186 . . . . 0.0 112.249 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 85.5 p -90.69 -178.48 5.29 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.972 178.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.559 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -58.12 -40.93 82.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.809 0.338 . . . . 0.0 110.358 174.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.431 ' HA ' ' OE1' ' A' ' 98' ' ' GLU . 4.6 m -64.73 -34.76 79.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -66.97 -40.26 87.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.007 0.432 . . . . 0.0 109.846 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.54 -40.69 97.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.62 175.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.559 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 51.3 mt-10 -57.42 -40.05 77.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.55 177.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -77.53 -18.41 57.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.348 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.63 93.59 6.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.121 0.486 . . . . 0.0 111.261 -177.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.1 m -123.93 18.42 9.32 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.762 0.791 . . . . 0.0 110.018 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.531 ' HB3' ' CD1' ' A' ' 105' ' ' PHE . 94.8 m-85 -117.62 87.2 25.33 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.944 177.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.506 ' HB3' ' HA ' ' A' ' 127' ' ' PRO . 16.4 Cg_exo -67.75 -5.55 14.63 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 123.042 2.495 . . . . 0.0 113.454 -174.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -114.36 19.96 16.55 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.091 178.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.531 ' CD1' ' HB3' ' A' ' 102' ' ' PHE . 7.7 m-85 -119.84 149.47 42.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.729 0.3 . . . . 0.0 110.663 -179.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.2 m -92.64 129.49 38.55 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -105.7 114.2 28.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.086 0.469 . . . . 0.0 111.068 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.662 HG23 HD11 ' A' ' 27' ' ' LEU . 99.5 t -96.25 120.43 45.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.13 177.148 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 49.0 mm -110.55 118.51 57.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.663 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.574 HG23 ' HB3' ' A' ' 120' ' ' LEU . 2.7 p -124.2 132.58 71.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.512 0.672 . . . . 0.0 111.035 -178.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.511 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 21.5 t -99.3 107.68 20.02 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.347 176.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.769 ' HB ' ' HE2' ' A' ' 19' ' ' TYR . 35.5 t -108.47 115.92 50.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -94.18 61.3 2.87 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -173.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 36.5 t70 54.97 82.36 0.1 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.165 -177.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.496 ' HA2' ' HB1' ' A' ' 16' ' ' ALA . . . 86.14 -30.99 4.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.639 179.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -101.48 106.06 43.83 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 120.898 0.38 . . . . 0.0 111.411 -178.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.459 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 14.7 Cg_exo -69.76 110.12 2.48 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.678 2.252 . . . . 0.0 111.795 178.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.511 ' HB3' ' HB3' ' A' ' 111' ' ' SER . 35.9 tt0 -70.3 -69.79 0.33 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.93 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -153.8 132.83 12.51 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.347 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.574 ' HB3' HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -119.76 139.7 51.89 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 174.271 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.7 m -149.76 156.8 42.45 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.875 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.5 133.4 53.13 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 176.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.488 ' CZ2' ' HG3' ' A' ' 91' ' ' ARG . 73.6 m95 -119.81 146.68 45.48 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.918 -174.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.08 126.99 51.63 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.203 175.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 103' ' ' PRO . 61.9 tp -81.09 135.25 35.79 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.56 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.55 125.37 79.43 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 172.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . 0.506 ' HA ' ' HB3' ' A' ' 103' ' ' PRO . 12.4 Cg_endo -56.92 -21.87 43.19 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.841 2.361 . . . . 0.0 112.159 -178.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -83.04 -2.11 54.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.507 178.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 64.16 37.51 8.86 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.781 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.5 m -90.39 -52.24 5.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.29 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -163.41 -175.27 4.14 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.889 -175.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -105.62 149.58 26.19 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -128.21 150.66 49.93 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.913 0.387 . . . . 0.0 110.438 176.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -77.39 139.64 39.75 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.727 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -138.32 152.24 48.31 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 176.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -86.46 137.16 32.76 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.09 0.471 . . . . 0.0 111.259 -177.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 73.2 mt -86.02 115.43 27.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.806 177.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.5 155.63 13.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.744 -176.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.445 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 47.9 mtp180 -77.31 147.89 76.73 Favored Pre-proline 0 C--N 1.316 -0.852 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.308 177.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.534 ' HD3' ' O ' ' A' ' 3' ' ' THR . 33.5 Cg_exo -61.24 135.78 60.33 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.764 2.309 . . . . 0.0 111.753 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.752 -178.276 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ttt . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.684 -0.117 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.536 ' HD2' ' OD2' ' A' ' 36' ' ' ASP . 0.5 OUTLIER -95.72 125.95 40.65 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 174.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.1 t -158.42 155.61 28.92 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.866 0.365 . . . . 0.0 110.367 175.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.7 p -82.84 154.91 68.08 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.063 -174.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.408 ' HD3' ' HG3' ' A' ' 139' ' ' ARG . 18.8 Cg_endo -60.6 -29.63 88.88 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.591 2.194 . . . . 0.0 111.013 177.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.538 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 21.3 t70 -61.8 -49.16 77.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.71 175.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.587 ' O ' HG13 ' A' ' 11' ' ' ILE . 38.7 mm -66.38 -42.42 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.311 178.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.651 HD21 HG21 ' A' ' 137' ' ' ILE . 77.1 mt -57.13 -43.75 82.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.008 176.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 13' ' ' VAL . 22.2 t70 -62.55 -43.99 97.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.152 178.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 70.4 mt-30 -60.85 -34.79 75.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.144 178.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 7' ' ' ILE . 66.4 mt -65.47 -41.26 90.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-O 120.866 0.365 . . . . 0.0 110.216 176.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -65.24 -49.55 69.22 Favored 'General case' 0 N--CA 1.435 -1.19 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.615 177.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 9' ' ' ASP . 66.6 t -58.21 -35.6 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.408 178.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.49 ' HE1' ' O ' ' A' ' 23' ' ' GLY . 31.6 t-80 -53.68 -29.95 41.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.522 178.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.7 -49.83 74.24 Favored Glycine 0 C--O 1.226 -0.35 0 C-N-CA 120.476 -0.869 . . . . 0.0 111.968 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.89 -40.57 54.17 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.209 0.528 . . . . 0.0 111.048 176.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -66.3 -38.6 88.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.423 -172.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' A' ' 21' ' ' GLU . . . -80.77 -38.2 28.97 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.627 -177.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -69.31 149.13 97.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.719 -174.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -79.83 -1.98 39.0 Favored 'Cis proline' 0 CA--C 1.533 0.469 0 C-N-CA 124.488 -1.047 . . . . 0.0 113.832 4.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.488 ' HB2' ' O ' ' A' ' 18' ' ' ALA . 7.9 mm-40 -65.69 -165.62 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.442 0 CA-C-O 121.043 0.449 . . . . 0.0 111.691 -178.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.485 ' O ' ' HB1' ' A' ' 18' ' ' ALA . 9.7 tp10 -58.29 129.73 43.37 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.186 0.517 . . . . 0.0 111.752 -175.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.49 ' O ' ' HE1' ' A' ' 14' ' ' HIS . . . -108.92 -3.25 31.92 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.161 -178.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 38.8 m -92.68 162.91 13.96 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.985 0.422 . . . . 0.0 110.685 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -179.76 -174.31 45.58 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.099 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -123.87 148.92 46.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.725 0.297 . . . . 0.0 110.604 -176.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.5 mt -94.92 120.62 35.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.902 178.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.538 HD22 ' HB2' ' A' ' 71' ' ' ALA . 72.8 mt -105.25 132.2 51.75 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.87 -154.24 10.54 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.083 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.03 159.98 40.02 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.583 HG12 ' HA ' ' A' ' 34' ' ' ASP . 25.9 t -98.46 117.58 43.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-O 121.398 0.618 . . . . 0.0 109.959 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.6 m -81.37 111.4 17.7 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.755 -175.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 t70 64.83 7.02 3.63 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.046 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.583 ' HA ' HG12 ' A' ' 31' ' ' VAL . 26.4 t70 65.13 17.5 11.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.2 -175.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.2 -42.89 2.91 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.537 177.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.536 ' OD2' ' HD2' ' A' ' 2' ' ' LYS . 42.3 t0 -145.96 158.26 43.87 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 31' ' ' VAL . 8.6 p30 -102.77 147.21 27.14 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.08 0.467 . . . . 0.0 110.992 -174.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -116.55 147.68 41.59 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.575 0.703 . . . . 0.0 110.213 174.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 55.7 t -97.61 131.21 45.04 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.25 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.155 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.18 -23.11 6.89 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.308 -177.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -153.1 145.23 23.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.873 0.368 . . . . 0.0 110.944 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.6 mt -101.25 131.96 47.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.813 177.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -118.4 122.22 42.26 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.687 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -89.76 139.82 30.19 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.871 176.041 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.458 ' HB3' ' HG2' ' A' ' 22' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.488 0 CA-C-O 121.015 0.436 . . . . 0.0 110.928 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.478 0.939 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -62.37 -43.44 98.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.135 -178.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.83 -35.75 81.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.434 179.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.96 -36.89 80.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.916 0.388 . . . . 0.0 110.773 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.22 -41.35 77.14 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 173.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -55.61 -48.87 74.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.485 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.443 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -59.71 -53.55 56.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.052 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.42 -32.62 74.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.824 0.345 . . . . 0.0 111.199 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.538 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -65.51 -51.43 60.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.842 178.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -65.71 -31.64 72.76 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 122.957 0.161 . . . . 0.0 110.864 -178.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 38.9 mt-10 -57.83 -43.63 85.92 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.071 0.462 . . . . 0.0 111.062 172.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -87.98 -9.45 53.49 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.784 -177.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.61 28.09 52.56 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.777 -177.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 64.7 mt -120.83 179.26 4.41 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -177.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -141.34 -179.87 6.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.786 0.327 . . . . 0.0 110.173 173.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.0 t -81.84 106.84 13.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.283 -178.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.1 m -93.45 -23.18 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.041 0.448 . . . . 0.0 111.121 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -165.59 177.28 40.9 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.13 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.2 t -135.54 156.66 38.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.427 ' HB3' ' HB ' ' A' ' 108' ' ' VAL . 53.8 p90 -140.06 139.15 35.85 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.257 0.551 . . . . 0.0 111.261 179.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -147.49 131.61 17.33 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.142 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.499 ' HB3' HG13 ' A' ' 110' ' ' VAL . 24.3 p -106.39 149.71 26.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.63 -173.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -162.11 143.82 8.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.291 173.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.511 ' HB3' ' O ' ' A' ' 112' ' ' VAL . 94.6 Cg_endo -92.18 69.65 0.8 Allowed 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 123.516 2.811 . . . . 0.0 113.37 -175.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 6.6 p-10 -160.84 154.72 22.56 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 177.134 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 87' ' ' ASP . 72.8 m80 66.56 157.28 0.13 Allowed Pre-proline 0 N--CA 1.468 0.461 0 O-C-N 123.898 0.749 . . . . 0.0 110.94 -174.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -73.17 74.09 3.09 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.593 2.195 . . . . 0.0 111.823 176.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 44.83 72.51 0.2 Allowed 'General case' 0 N--CA 1.465 0.301 0 O-C-N 124.1 0.875 . . . . 0.0 111.887 -179.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.533 ' HB2' ' HD2' ' A' ' 92' ' ' PRO . 19.3 ptp180 -162.88 161.76 18.82 Favored Pre-proline 0 N--CA 1.451 -0.415 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.179 -178.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.533 ' HD2' ' HB2' ' A' ' 91' ' ' ARG . 44.8 Cg_endo -69.17 146.37 63.62 Favored 'Trans proline' 0 C--O 1.238 0.5 0 C-N-CA 122.492 2.128 . . . . 0.0 112.932 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.0 m -97.48 -168.85 1.75 Allowed 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.06 173.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -65.26 -47.35 77.01 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.911 -0.315 . . . . 0.0 110.546 -179.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.3 m -60.96 -38.76 87.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.428 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -56.32 -45.29 80.38 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.295 0.569 . . . . 0.0 109.976 177.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.3 tt -70.49 -43.56 69.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.645 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 54.3 mt-10 -64.31 -26.29 68.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.104 -174.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -95.26 4.39 53.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.757 0.313 . . . . 0.0 111.373 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -92.71 68.41 4.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.414 0.626 . . . . 0.0 110.55 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.75 4.88 53.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.072 -178.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -126.92 85.66 60.51 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.518 -175.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.69 161.16 47.04 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.613 2.208 . . . . 0.0 111.994 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.88 -19.64 52.46 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.728 -177.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -90.64 154.2 19.75 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 176.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 90.5 m -91.84 124.5 36.01 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.428 ' CE2' ' HB2' ' A' ' 125' ' ' LEU . 47.6 m-85 -97.97 108.93 21.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.987 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.427 ' HB ' ' HB3' ' A' ' 82' ' ' TYR . 61.6 t -101.44 120.77 51.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.083 0.468 . . . . 0.0 109.985 177.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.2 mt -119.45 125.71 74.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.741 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.793 ' HB ' HD23 ' A' ' 120' ' ' LEU . 4.1 p -118.55 131.17 72.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-O 121.138 0.494 . . . . 0.0 109.757 178.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.5 t -82.17 105.98 13.7 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.511 ' O ' ' HB3' ' A' ' 86' ' ' PRO . 60.5 t -110.58 114.8 48.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -95.62 59.31 2.09 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.445 0.641 . . . . 0.0 109.758 -173.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.3 t70 58.69 81.96 0.15 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 114.325 -1.307 . . . . 0.0 111.103 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.454 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 87.84 -22.59 17.07 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.618 179.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -107.52 100.95 37.05 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-O 120.735 0.303 . . . . 0.0 111.624 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.454 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 3.4 Cg_exo -75.53 115.53 4.24 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.84 2.36 . . . . 0.0 111.135 176.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -83.8 -72.5 0.46 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.214 -175.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -139.94 151.37 45.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.076 0.465 . . . . 0.0 111.773 -175.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.793 HD23 ' HB ' ' A' ' 110' ' ' VAL . 37.9 mt -101.56 129.73 47.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.939 175.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 20.9 p -131.55 131.68 43.54 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.763 0.316 . . . . 0.0 110.883 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.45 133.58 52.9 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 176.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.52 ' CZ3' ' HB2' ' A' ' 134' ' ' ARG . 61.2 m95 -126.79 139.88 52.78 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.339 -172.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -106.62 132.38 52.69 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.504 174.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.547 HD11 ' HA ' ' A' ' 129' ' ' ARG . 59.0 tp -80.68 137.56 36.32 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.437 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -67.57 150.16 97.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.801 174.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -52.25 -32.74 51.99 Favored 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 123.044 2.496 . . . . 0.0 113.7 -175.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.51 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 27.9 t70 -98.3 14.23 28.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.659 0.266 . . . . 0.0 110.919 -176.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.547 ' HA ' HD11 ' A' ' 125' ' ' LEU . 6.7 ptp180 51.24 29.41 4.9 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.439 1.096 . . . . 0.0 112.656 174.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.7 p -94.81 -26.61 16.15 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -178.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -153.84 169.18 24.03 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.044 0.45 . . . . 0.0 111.344 178.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -113.47 152.08 30.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.607 177.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -126.5 136.36 52.5 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 169.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.52 ' HB2' ' CZ3' ' A' ' 123' ' ' TRP . 9.9 ttt180 -75.57 146.08 40.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.24 0.543 . . . . 0.0 111.97 -172.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -128.74 154.76 46.03 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 176.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -98.39 148.17 23.96 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.964 0.411 . . . . 0.0 110.45 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.651 HG21 HD21 ' A' ' 8' ' ' LEU . 3.8 mp -84.25 128.71 38.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.925 -178.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.408 HG23 ' HG3' ' A' ' 2' ' ' LYS . 15.6 m -109.31 144.79 16.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.735 179.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 139' ' ' ARG . 4.4 mpt_? -83.37 133.39 47.46 Favored Pre-proline 0 N--CA 1.446 -0.653 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 176.188 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.02 158.39 47.92 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.475 2.117 . . . . 0.0 112.175 -175.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.243 179.456 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.429 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -96.97 118.77 34.12 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.893 0.378 . . . . 0.0 111.125 -177.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.442 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 10.9 t -160.15 173.16 16.2 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 175.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.466 ' OG1' HG12 ' A' ' 7' ' ' ILE . 37.7 p -94.1 148.18 34.71 Favored Pre-proline 0 C--N 1.321 -0.665 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.698 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.71 -25.84 80.35 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.97 2.446 . . . . 0.0 111.694 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.429 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 33.0 t70 -61.93 -42.5 99.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.481 176.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.549 ' O ' HG13 ' A' ' 11' ' ' ILE . 44.6 mm -61.86 -44.22 98.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.146 176.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.58 HD11 HG21 ' A' ' 137' ' ' ILE . 83.3 mt -56.29 -44.1 79.5 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.008 178.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -65.37 -43.85 89.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.305 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 46.7 mt-30 -61.38 -36.16 79.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.119 178.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.549 HG13 ' O ' ' A' ' 7' ' ' ILE . 80.1 mt -59.17 -45.43 92.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.751 0.31 . . . . 0.0 110.236 175.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.02 -49.17 78.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.764 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 65.3 t -63.34 -48.5 87.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 -178.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.539 ' HB3' ' HD3' ' A' ' 44' ' ' ARG . 18.7 m-70 -66.65 -27.83 67.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.345 -179.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.2 -43.16 81.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.876 176.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.04 -28.35 63.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.19 0.519 . . . . 0.0 110.237 176.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -65.55 -38.56 89.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.632 175.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.82 -42.0 91.13 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.992 -1.003 . . . . 0.0 111.108 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -63.96 151.54 89.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.741 178.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -78.93 -3.88 36.28 Favored 'Cis proline' 0 C--O 1.234 0.312 0 C-N-CA 124.071 -1.22 . . . . 0.0 113.309 2.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -68.96 -176.86 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.089 0.471 . . . . 0.0 111.142 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -81.33 143.68 32.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.331 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -122.64 -110.37 2.03 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.358 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.3 p 50.43 -173.51 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.302 1.041 . . . . 0.0 112.562 -177.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 145.65 -166.81 27.73 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.023 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -111.44 157.08 20.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.961 0.41 . . . . 0.0 111.384 -176.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.0 mt -99.66 128.83 45.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.088 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.539 HD22 ' HB2' ' A' ' 71' ' ' ALA . 84.1 mt -104.47 138.42 40.88 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.02 0.438 . . . . 0.0 110.609 -177.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.65 -149.89 8.45 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.507 ' HA ' ' OD1' ' A' ' 77' ' ' ASP . 0.7 OUTLIER -137.52 145.31 42.8 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 117.261 0.531 . . . . 0.0 111.464 175.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.5 t -90.8 124.02 43.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.318 176.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.9 p -72.87 173.84 8.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.109 0.48 . . . . 0.0 111.278 -174.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -84.88 -6.77 59.35 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.312 -176.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -100.59 -29.46 12.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.557 179.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.62 -2.35 4.51 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 119.999 -1.096 . . . . 0.0 112.958 178.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -78.32 154.57 30.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.001 0.429 . . . . 0.0 110.914 176.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.523 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 84.6 m-20 -115.48 123.77 49.4 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.135 -0.938 . . . . 0.0 108.851 176.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -115.76 139.6 50.01 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.717 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.8 t -105.67 123.12 59.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.403 -175.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.27 -25.11 7.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.804 -177.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.498 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -144.02 163.46 33.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.807 0.336 . . . . 0.0 111.384 -176.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.1 mt -123.07 152.18 41.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.12 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -134.62 121.93 21.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.743 0.306 . . . . 0.0 110.289 176.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.539 ' HD3' ' HB3' ' A' ' 14' ' ' HIS . 76.1 mtm180 -109.07 132.12 54.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.714 176.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.607 0 CA-C-O 121.225 0.536 . . . . 0.0 110.712 177.741 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 C--O 1.234 0.238 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 94.2 t80 -56.27 -51.57 67.65 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.261 -177.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 46.1 mtp85 -61.25 -36.89 81.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.561 0.22 . . . . 0.0 111.493 -177.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.86 -44.13 73.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.739 0.304 . . . . 0.0 110.709 178.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.441 ' HB1' HD21 ' A' ' 28' ' ' LEU . . . -64.5 -39.53 93.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.208 176.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -61.76 -45.86 92.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.605 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.545 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -61.68 -53.31 57.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.625 178.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.91 -32.37 71.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.975 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.539 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -64.27 -51.68 62.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.184 176.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -36.6 78.56 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 123.234 0.334 . . . . 0.0 110.657 179.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 99.3 mt-10 -59.75 -39.33 84.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.22 176.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -93.17 -3.64 53.55 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.049 -178.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.59 23.13 60.8 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.462 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.0 mt -114.24 175.4 5.49 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 122.613 0.365 . . . . 0.0 110.025 -179.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.507 ' OD1' ' HA ' ' A' ' 30' ' ' THR . 5.1 p-10 -137.78 -175.07 3.96 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 174.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.7 t -98.05 107.99 21.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.796 0.332 . . . . 0.0 110.278 -178.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.523 ' HB ' ' HB3' ' A' ' 37' ' ' ASN . 29.6 m -93.41 -13.45 8.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.757 -176.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.415 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -178.79 -174.64 45.18 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 120.03 -1.081 . . . . 0.0 112.722 -179.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.1 t -136.8 154.78 32.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.51 ' OH ' ' HG2' ' A' ' 44' ' ' ARG . 18.6 p90 -127.28 136.29 51.76 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.066 176.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.406 ' HB2' HG12 ' A' ' 109' ' ' ILE . 57.8 m170 -110.88 143.56 41.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.701 -176.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.4 m -105.73 126.58 52.32 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -117.72 154.2 50.91 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.623 -179.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -74.78 -161.78 0.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 123.245 2.63 . . . . 0.0 110.758 170.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -49.14 -33.06 11.23 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 176.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -53.35 151.32 10.2 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.941 178.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -37.39 145.33 0.12 Allowed 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 124.867 3.712 . . . . 0.0 115.557 -174.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.11 7.04 29.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.526 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.91 148.1 34.17 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.248 175.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.45 122.97 12.56 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.843 2.362 . . . . 0.0 112.713 -177.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.3 t -88.69 -174.91 4.73 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.509 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -57.75 -48.8 78.61 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -173.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.2 m -74.98 -33.65 61.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.113 0.482 . . . . 0.0 110.682 -177.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -62.94 -40.4 97.53 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.729 ' HG ' ' HE1' ' A' ' 132' ' ' PHE . 7.6 tt -69.24 -37.55 78.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.382 177.193 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 37.9 mt-10 -60.63 -32.69 71.84 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -177.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -87.67 -6.73 58.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.802 0.334 . . . . 0.0 111.577 -178.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.0 76.77 10.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.5 0.667 . . . . 0.0 109.717 175.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.438 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 6.2 t -98.6 -13.41 20.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.036 -175.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -116.48 86.54 18.4 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.892 -176.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' A' ' 101' ' ' THR . 18.8 Cg_exo -65.3 172.83 7.06 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.951 2.434 . . . . 0.0 112.466 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 95.66 -35.18 4.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 111.576 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.415 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 35.8 m-85 -75.57 149.23 38.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.793 0.33 . . . . 0.0 110.117 175.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.7 m -92.04 123.34 35.33 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 177.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -100.55 115.43 30.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.931 0.396 . . . . 0.0 110.852 -177.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.469 ' O ' ' HA ' ' A' ' 82' ' ' TYR . 58.7 t -104.58 126.38 59.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.191 176.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.406 HG12 ' HB2' ' A' ' 83' ' ' HIS . 54.4 mt -122.78 131.42 73.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 120.741 0.305 . . . . 0.0 110.227 -178.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.0 p -127.15 128.28 70.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.32 0.581 . . . . 0.0 111.099 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.4 m -87.89 111.88 21.92 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.523 175.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.501 ' HA ' ' HA ' ' A' ' 117' ' ' PRO . 40.8 t -107.27 115.65 49.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.631 179.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -94.0 92.08 7.18 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.03 -177.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.5 t70 54.14 49.0 19.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.98 177.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 91.94 0.61 71.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.832 177.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -117.22 99.51 52.75 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.802 0.334 . . . . 0.0 110.944 177.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.501 ' HA ' ' HA ' ' A' ' 112' ' ' VAL . 14.1 Cg_exo -69.45 117.02 4.81 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.892 2.394 . . . . 0.0 111.318 178.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -100.64 -69.96 0.75 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.921 -177.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -102.23 121.92 43.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.895 -176.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.6 tt -120.45 121.35 38.31 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 175.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.0 m -136.67 157.04 47.7 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.913 0.387 . . . . 0.0 110.974 -175.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -122.3 139.02 54.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.192 0.52 . . . . 0.0 109.943 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -132.02 145.16 51.27 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.483 -172.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -108.75 132.35 54.05 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.654 173.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 67.2 tp -88.22 130.31 35.11 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.95 144.8 90.06 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.875 176.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.92 -30.06 84.45 Favored 'Trans proline' 0 N--CA 1.473 0.28 0 C-N-CA 122.79 2.327 . . . . 0.0 112.584 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -88.44 0.7 55.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.463 -179.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 57.14 29.94 17.46 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.404 -176.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 25.8 t -68.19 -46.17 71.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.978 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -165.21 -177.52 4.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.895 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.729 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 63.5 m-85 -106.59 146.3 30.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.838 176.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -124.11 136.72 54.42 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 174.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -57.36 138.68 54.63 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.12 -178.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -127.44 148.95 50.3 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 174.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -96.62 146.22 25.04 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.757 -177.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.58 HG21 HD11 ' A' ' 8' ' ' LEU . 4.1 mp -85.32 114.93 26.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 175.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 10.4 m -110.91 150.53 13.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.598 -178.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 46.9 mtt180 -84.38 152.39 60.89 Favored Pre-proline 0 C--N 1.315 -0.892 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.529 -177.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 3' ' ' THR . 45.7 Cg_exo -55.52 102.84 0.1 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.353 2.035 . . . . 0.0 112.567 178.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.525 174.66 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.427 ' HB2' HG21 ' A' ' 106' ' ' THR . 22.4 ttt . . . . . 0 N--CA 1.476 0.843 0 CA-C-O 121.171 0.51 . . . . 0.0 111.265 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -90.24 137.21 32.53 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 170.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.49 HG21 HD21 ' A' ' 8' ' ' LEU . 8.9 t -154.73 149.32 26.39 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 120.87 0.367 . . . . 0.0 110.67 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.7 p -99.27 153.14 37.93 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.517 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.55 -35.09 65.55 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 123.378 2.718 . . . . 0.0 112.983 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 5.1 p-10 -65.04 -38.33 90.52 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.098 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.559 ' O ' HG13 ' A' ' 11' ' ' ILE . 40.4 mm -70.13 -44.61 77.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.746 0.308 . . . . 0.0 110.296 178.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.49 HD21 HG21 ' A' ' 3' ' ' THR . 88.2 mt -54.76 -43.26 72.58 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.588 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.642 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 24.1 t70 -68.47 -42.89 78.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.104 0.478 . . . . 0.0 110.39 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 50.3 mt-30 -59.93 -30.31 68.97 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.268 177.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' ' 7' ' ' ILE . 76.4 mt -65.01 -50.48 74.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.458 0.171 . . . . 0.0 110.648 176.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.642 ' HG2' ' O ' ' A' ' 9' ' ' ASP . 4.8 ptm180 -65.61 -35.07 79.73 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 120.625 0.25 . . . . 0.0 110.792 -179.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 9' ' ' ASP . 93.6 t -65.28 -38.98 83.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 120.768 0.318 . . . . 0.0 110.554 176.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -65.22 -28.83 69.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.036 177.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.16 -40.7 96.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.344 174.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.52 -26.41 60.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.886 0.375 . . . . 0.0 110.48 176.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -74.16 -38.9 63.56 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.684 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.88 -44.66 72.81 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.938 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -69.03 149.77 97.71 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.22 -178.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -79.79 -2.52 39.13 Favored 'Cis proline' 0 C--N 1.345 0.365 0 C-N-CA 124.077 -1.218 . . . . 0.0 113.812 5.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -65.79 164.14 15.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.218 0.532 . . . . 0.0 111.342 -177.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -93.41 97.94 10.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.735 -177.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -151.18 142.4 9.48 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.697 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.2 p -102.48 -164.59 1.1 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 175.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.589 ' HA3' ' CZ ' ' A' ' 82' ' ' TYR . . . -141.99 150.02 21.67 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.208 -0.996 . . . . 0.0 112.214 178.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -109.7 148.16 31.87 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.833 0.349 . . . . 0.0 110.159 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.6 mt -103.88 113.96 27.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.04 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.512 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 66.7 mt -107.46 132.94 52.66 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 178.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.554 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . -169.02 -160.08 16.26 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 119.304 -1.427 . . . . 0.0 114.069 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.469 ' HB ' ' HG3' ' A' ' 147' ' ' GLU . 32.5 p -117.28 160.09 21.65 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.193 -0.503 . . . . 0.0 110.792 -176.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.4 t -90.81 115.35 29.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.0 p -69.33 162.92 26.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.476 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -63.4 -19.18 64.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.303 -176.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -75.31 -17.76 60.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.12 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.28 -2.06 59.23 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.485 -173.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -92.68 169.01 10.83 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -102.27 143.5 31.97 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.057 -0.402 . . . . 0.0 111.734 -176.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.554 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 66.8 ttt180 -115.6 127.59 55.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.863 170.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 55.1 t -81.93 121.68 35.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.02 -22.58 6.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.163 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.512 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -133.8 148.61 51.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.432 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.0 mt -127.0 142.1 51.63 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.806 -177.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.401 ' NE2' ' OD2' ' A' ' 62' ' ' ASP . 14.1 t60 -150.37 122.65 8.38 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.943 178.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.466 ' HA ' ' HA2' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -91.53 139.65 30.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.525 -178.276 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.624 ' HA ' ' HB3' ' A' ' 62' ' ' ASP . . . -76.17 63.84 1.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.351 0.596 . . . . 0.0 110.949 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.0 m -152.01 132.36 13.71 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 177.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.474 HD22 ' N ' ' A' ' 47' ' ' ASN . 0.9 OUTLIER -71.09 116.45 11.4 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.111 0.481 . . . . 0.0 111.572 -171.221 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -116.38 89.86 3.2 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.301 172.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -138.36 106.59 5.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.14 0.495 . . . . 0.0 110.939 -175.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.7 m -92.48 178.26 5.87 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 172.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -79.72 84.02 5.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.335 0.588 . . . . 0.0 110.143 177.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -106.18 138.8 41.73 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.121 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -97.28 90.17 5.01 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.163 0.506 . . . . 0.0 110.73 -176.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.3 t -161.59 169.69 21.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.379 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -83.32 144.5 29.65 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.199 0.524 . . . . 0.0 110.824 -178.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.14 150.61 21.31 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.58 -173.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -68.29 -41.47 80.94 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 172.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -158.86 -68.58 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.73 174.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.485 ' HG ' ' N ' ' A' ' 60' ' ' THR . 36.5 tp -170.2 170.09 7.48 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 175.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.485 ' N ' ' HG ' ' A' ' 59' ' ' LEU . 10.1 t -96.95 130.53 44.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.134 0.492 . . . . 0.0 109.873 176.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -160.38 -38.45 0.05 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.018 -176.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.624 ' HB3' ' HA ' ' A' ' 45' ' ' ALA . 5.9 m-20 67.66 13.04 9.15 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.412 175.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -73.76 165.93 24.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.223 173.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -53.02 -46.1 68.24 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -64.33 -40.69 96.4 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-O 120.907 0.384 . . . . 0.0 111.243 -178.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.92 -38.41 90.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.613 176.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.19 -34.81 75.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.382 176.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.64 -46.3 90.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.363 176.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.52 -45.52 86.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.884 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.44 -33.34 74.61 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.801 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.46 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -61.65 -49.4 76.69 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.135 175.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -62.78 -36.45 83.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.005 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.567 ' O ' ' HB3' ' A' ' 153' ' ' HIS . 14.6 mm-40 -58.93 -34.66 71.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.242 0.544 . . . . 0.0 111.565 175.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -92.49 -4.12 54.1 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.548 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.532 ' HA3' ' O ' ' A' ' 151' ' ' HIS . . . 76.48 28.38 59.74 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.448 -178.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.9 mt -125.64 -173.19 2.77 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.441 ' HA ' ' HB1' ' A' ' 71' ' ' ALA . 3.4 p-10 -147.78 176.27 10.26 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 169.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.4 t -80.83 105.57 10.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.267 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.4 m -95.3 -10.28 9.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.307 -176.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.471 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -174.14 176.64 46.55 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.434 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 107' ' ' TYR . 4.0 t -139.39 156.64 27.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.589 ' CZ ' ' HA3' ' A' ' 25' ' ' GLY . 35.7 p90 -144.57 147.85 33.67 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.002 0.43 . . . . 0.0 110.711 177.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -147.29 142.47 27.2 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.403 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.1 m -106.11 141.5 37.38 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.016 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.478 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 0.9 OUTLIER -144.16 143.53 22.8 Favored Pre-proline 0 C--N 1.321 -0.635 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.866 174.311 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 2.1 Cg_endo -83.43 63.14 7.48 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 123.087 2.525 . . . . 0.0 111.589 178.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -167.21 121.13 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.387 -0.824 . . . . 0.0 108.965 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 51.7 m80 66.25 141.87 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 O-C-N 124.055 0.847 . . . . 0.0 110.234 -168.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.566 ' O ' ' HB2' ' A' ' 111' ' ' SER . 37.5 Cg_exo -58.94 -56.07 1.62 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.63 2.22 . . . . 0.0 112.994 -178.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.475 ' HB1' ' OG1' ' A' ' 121' ' ' THR . . . -165.32 83.17 0.35 Allowed 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.414 -0.514 . . . . 0.0 112.242 -176.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.401 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 6.6 ppt_? -167.77 148.12 4.6 Favored Pre-proline 0 N--CA 1.45 -0.449 0 CA-C-N 115.419 -0.81 . . . . 0.0 108.972 170.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 91' ' ' ARG . 24.9 Cg_exo -63.67 149.84 89.89 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.827 2.351 . . . . 0.0 112.586 -178.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.2 t -97.25 -170.49 2.03 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.07 -49.46 36.28 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.693 -175.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.58 ' O ' ' HG2' ' A' ' 99' ' ' GLU . 15.7 m -67.05 -49.21 65.92 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -174.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -67.58 -30.0 69.5 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.849 -177.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.576 ' HG ' ' CE1' ' A' ' 132' ' ' PHE . 7.6 tt -64.12 -43.0 96.62 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.484 0.659 . . . . 0.0 109.25 171.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -68.6 -32.77 72.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.755 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' A' ' 95' ' ' THR . 7.9 mm-40 -82.5 1.02 39.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.304 -178.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.72 94.28 3.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.16 0.505 . . . . 0.0 110.644 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.615 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 11.1 m -83.25 -18.12 40.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.805 -176.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.412 ' HB3' ' CD1' ' A' ' 105' ' ' PHE . 81.7 m-85 -110.12 88.48 7.11 Favored Pre-proline 0 C--N 1.327 -0.373 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -173.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.615 ' HD3' ' O ' ' A' ' 101' ' ' THR . 13.2 Cg_exo -70.62 -0.69 8.02 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.958 2.439 . . . . 0.0 112.714 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -105.53 5.97 41.3 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.246 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.471 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 2.6 m-85 -104.93 153.24 21.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.808 0.337 . . . . 0.0 110.444 -179.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.427 HG21 ' HB2' ' A' ' 1' ' ' MET . 41.4 m -92.71 123.0 35.67 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.455 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 65.4 m-85 -101.23 117.12 34.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.465 -177.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.585 ' HB ' ' HB3' ' A' ' 82' ' ' TYR . 64.2 t -96.32 126.25 49.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-O 121.292 0.568 . . . . 0.0 110.345 178.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.3 mm -109.67 123.76 65.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 176.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.475 ' CG2' ' HG ' ' A' ' 120' ' ' LEU . 2.4 p -128.9 137.66 56.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 121.284 0.564 . . . . 0.0 110.538 -174.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.566 ' HB2' ' O ' ' A' ' 89' ' ' PRO . 34.6 t -80.53 106.8 12.81 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.595 -178.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 116' ' ' ALA . 69.1 t -125.8 114.43 39.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 172.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 49.2 ttp85 -107.01 92.9 4.27 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.165 -176.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 33.7 t70 60.43 29.92 19.38 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.085 176.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 119.1 -19.11 10.19 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.911 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . . . -91.1 110.77 44.58 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.668 0.234 . . . . 0.0 111.314 -179.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.426 ' HB2' ' HB2' ' A' ' 12' ' ' ARG . 1.7 Cg_endo -83.89 115.24 2.05 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 123.348 2.699 . . . . 0.0 112.003 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.538 ' HB3' ' HB3' ' A' ' 111' ' ' SER . 43.2 tt0 -95.71 -74.26 0.56 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.721 -174.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.429 ' H ' ' HB3' ' A' ' 111' ' ' SER . . . -137.8 155.37 49.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.614 0.245 . . . . 0.0 111.273 -175.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.475 ' HG ' ' CG2' ' A' ' 110' ' ' VAL . 5.0 mp -119.25 144.17 46.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.719 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.475 ' OG1' ' HB1' ' A' ' 90' ' ' ALA . 28.7 p -138.41 143.31 39.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.702 -0.227 . . . . 0.0 110.512 176.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.75 134.35 52.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.862 0.363 . . . . 0.0 110.387 178.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -129.01 143.5 50.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.946 -175.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -108.92 129.06 55.42 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.7 176.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.524 HD23 ' HA ' ' A' ' 103' ' ' PRO . 55.2 tp -81.12 134.53 35.66 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.7 142.27 94.64 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.325 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -59.88 -26.37 82.1 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.909 2.406 . . . . 0.0 112.601 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -86.51 -11.13 52.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.306 176.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 129' ' ' ARG . 12.4 ttp180 55.59 71.76 0.53 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.87 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 70.6 m -118.14 -32.81 4.6 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.114 172.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.544 ' HA ' HD11 ' A' ' 97' ' ' LEU . 11.4 pt-20 -162.59 -178.89 6.51 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.567 -179.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.576 ' CE1' ' HG ' ' A' ' 97' ' ' LEU . 46.5 m-85 -106.39 154.04 21.38 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.078 178.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -124.27 145.88 49.11 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 175.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 10.8 tpt85 -82.23 133.62 35.26 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 121.257 0.551 . . . . 0.0 110.88 -173.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -117.51 149.55 40.42 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 175.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -86.4 154.53 21.11 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -176.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 47.7 mm -82.92 112.76 21.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 16.5 m -116.99 134.36 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.798 0 CA-C-O 121.65 0.738 . . . . 0.0 111.333 -176.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 67.8 mtm180 -83.55 145.63 48.31 Favored Pre-proline 0 C--N 1.313 -1.0 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.467 174.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -58.27 144.25 96.04 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.062 1.841 . . . . 0.0 111.102 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.418 ' C ' ' H ' ' A' ' 143' ' ' GLU . 8.7 m-20 -52.91 142.69 33.84 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.144 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -71.96 29.51 0.25 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.134 2.556 . . . . 0.0 113.689 -172.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.418 ' H ' ' C ' ' A' ' 141' ' ' ASP . 40.3 mt-10 -139.78 -56.21 0.56 Allowed 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.503 179.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . 57.35 93.32 0.05 OUTLIER Pre-proline 0 N--CA 1.466 0.349 0 O-C-N 123.928 0.768 . . . . 0.0 112.141 176.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.5 -174.52 0.56 Allowed 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 123.122 2.548 . . . . 0.0 112.769 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.496 ' O ' HD12 ' A' ' 146' ' ' LEU . 3.0 pp -65.1 143.02 58.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.745 -177.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.469 ' HG3' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -87.15 162.84 17.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.417 176.621 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 -123.19 -14.72 7.44 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.064 -175.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -110.31 -22.95 11.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.163 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -64.16 133.19 52.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.193 0.52 . . . . 0.0 111.463 -177.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.532 ' O ' ' HA3' ' A' ' 75' ' ' GLY . 70.0 m80 -116.48 169.45 9.31 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 174.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -133.72 110.7 10.0 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.798 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . 0.567 ' HB3' ' O ' ' A' ' 73' ' ' GLU . 37.1 t-80 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.389 -0.815 . . . . 0.0 109.588 176.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ttt . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.878 0.371 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -108.18 126.04 52.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.232 174.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.481 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 14.0 t -157.26 169.52 24.58 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.477 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 78.3 p -104.0 152.52 39.09 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.012 -176.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.36 -28.54 86.99 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.78 2.32 . . . . 0.0 111.808 176.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.4 -49.42 76.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.755 177.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.541 HG23 HD11 ' A' ' 42' ' ' LEU . 35.9 mm -63.66 -42.91 97.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.336 178.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.1 mt -58.28 -44.97 88.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.325 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.675 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 8.7 t70 -66.5 -38.86 88.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.13 0.49 . . . . 0.0 110.226 -178.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -60.4 -37.77 81.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.277 175.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 7' ' ' ILE . 83.0 mt -63.85 -49.08 83.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.304 178.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.675 ' HG2' ' O ' ' A' ' 9' ' ' ASP . 4.9 ptm180 -62.33 -32.68 73.48 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.548 0.213 . . . . 0.0 111.116 -177.012 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 9' ' ' ASP . 97.6 t -67.83 -34.16 65.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.684 0.278 . . . . 0.0 110.686 178.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -63.36 -28.7 70.17 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.005 -177.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.549 ' HA3' HG21 ' A' ' 112' ' ' VAL . . . -65.71 -45.92 86.35 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.177 178.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.97 -30.62 62.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.296 0.57 . . . . 0.0 110.607 178.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -58.59 -38.58 78.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.52 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.44 20.08 11.93 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.707 -175.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.504 ' CE2' ' HA ' ' A' ' 114' ' ' ASP . 16.6 t80 -41.84 129.79 2.49 Favored Pre-proline 0 N--CA 1.476 0.847 0 C-N-CA 122.922 0.489 . . . . 0.0 112.003 -177.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 19' ' ' TYR . 72.1 Cg_endo -79.96 -21.24 18.05 Favored 'Cis proline' 0 C--N 1.347 0.478 0 C-N-CA 123.026 -1.656 . . . . 0.0 112.093 -0.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 178.31 134.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.37 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -118.59 2.23 11.73 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 172.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.548 ' HA3' ' O ' ' A' ' 45' ' ' ALA . . . 147.48 153.11 5.83 Favored Glycine 0 N--CA 1.437 -1.243 0 CA-C-N 113.924 -1.489 . . . . 0.0 110.583 -175.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.527 ' HB3' ' O ' ' A' ' 82' ' ' TYR . 82.1 m -93.23 -164.39 1.17 Allowed 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.507 ' HA3' ' CZ ' ' A' ' 82' ' ' TYR . . . -137.7 155.05 22.91 Favored Glycine 0 N--CA 1.441 -1.03 0 C-N-CA 120.039 -1.077 . . . . 0.0 111.969 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -107.81 148.23 29.81 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.975 -0.379 . . . . 0.0 109.975 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.3 mt -93.99 115.17 27.49 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.479 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.614 HD22 ' HB2' ' A' ' 71' ' ' ALA . 59.4 mt -103.76 132.62 49.85 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -178.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 178.24 -151.1 10.27 Favored Glycine 0 N--CA 1.441 -1.021 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.485 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 0.9 OUTLIER -136.8 158.42 44.48 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 120.879 0.371 . . . . 0.0 111.08 179.588 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.9 t -89.6 124.43 42.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 51.1 p -70.34 164.95 23.41 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.981 -176.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.94 -21.19 66.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.735 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -71.38 -34.27 70.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.332 176.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.22 -3.8 20.36 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.615 -176.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -88.19 153.53 21.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.888 0.375 . . . . 0.0 110.444 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.441 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 78.7 m-20 -94.33 128.71 40.99 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.675 -175.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 30' ' ' THR . 33.4 ptt180 -114.8 143.24 45.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.288 0.565 . . . . 0.0 110.032 176.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.1 t -110.23 121.64 63.42 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.347 -174.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -115.05 -19.2 10.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.603 -178.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.504 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -148.49 166.73 27.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.932 0.396 . . . . 0.0 111.387 -177.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.541 HD11 HG23 ' A' ' 7' ' ' ILE . 97.6 mt -131.92 143.58 50.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.254 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.513 ' HB2' HD11 ' A' ' 28' ' ' LEU . 21.1 t60 -130.86 135.33 47.61 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 174.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 44' ' ' ARG . 21.3 ttt180 -86.84 135.91 33.16 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.594 -178.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.548 ' O ' ' HA3' ' A' ' 23' ' ' GLY . . . -92.04 85.55 5.55 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 173.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.447 ' HB ' ' HB3' ' A' ' 62' ' ' ASP . 4.6 m -84.99 124.4 31.65 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.193 -172.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 73.31 -38.36 0.41 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 114.698 -1.137 . . . . 0.0 111.914 175.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 48' ' ' ARG . 1.0 OUTLIER -107.91 93.77 4.71 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.112 0.482 . . . . 0.0 110.214 175.305 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.412 ' HG3' ' H ' ' A' ' 24' ' ' CYS . 21.7 ttp180 -88.88 -37.99 14.9 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.208 -177.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.2 t -131.44 -49.01 0.98 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.176 -175.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.57 ' OE2' ' HB2' ' A' ' 53' ' ' ARG . 14.8 tp10 63.49 -85.53 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.466 -179.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 70.99 -36.96 0.38 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.962 0.905 . . . . 0.0 111.572 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.57 ' HB2' ' OE2' ' A' ' 51' ' ' GLU . 4.3 mmp_? -65.02 -71.38 0.19 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.431 -175.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.1 t -106.46 119.01 38.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.382 0.61 . . . . 0.0 111.598 -174.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -131.73 112.13 12.26 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 175.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 56' ' ' ARG . 5.1 ttt85 -130.85 28.03 4.87 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.383 -0.527 . . . . 0.0 111.586 -174.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 85.0 t80 74.03 -42.28 0.51 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.554 0.742 . . . . 0.0 112.385 175.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -65.11 161.8 18.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.701 0.286 . . . . 0.0 110.443 177.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.6 mp -70.79 99.19 1.68 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.6 p -85.52 95.19 9.22 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.047 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 63.58 -154.19 0.32 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.873 -173.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.447 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 35.7 t0 -94.01 71.73 4.02 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.392 0.615 . . . . 0.0 109.436 177.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -107.23 -160.97 0.76 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.734 -172.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -57.26 -40.76 78.34 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.937 177.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.457 ' HD2' ' HA ' ' A' ' 65' ' ' ARG . 18.9 mmm180 -60.57 -36.96 79.76 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 120.649 0.262 . . . . 0.0 111.275 -179.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.42 -38.31 71.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.87 0.367 . . . . 0.0 110.587 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.94 -42.47 89.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.384 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.75 -41.68 87.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.031 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.629 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -60.64 -52.08 66.65 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.395 176.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.72 -33.56 75.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.765 0.317 . . . . 0.0 111.195 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.614 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -63.98 -52.35 60.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.635 178.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -66.21 -31.92 73.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.803 -0.181 . . . . 0.0 110.771 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.629 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 37.9 mt-10 -58.08 -40.23 80.54 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.203 0.525 . . . . 0.0 110.648 174.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -88.0 -2.14 58.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.702 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.78 18.71 62.98 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.658 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.1 mt -116.39 -173.81 2.44 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 -177.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -148.55 173.9 12.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.702 172.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.2 t -84.04 111.36 19.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.951 0.405 . . . . 0.0 110.29 -176.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.441 ' HB ' ' HB3' ' A' ' 37' ' ' ASN . 27.6 m -100.39 -1.76 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.5 -177.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.43 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . 173.86 -176.15 46.38 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.019 -1.086 . . . . 0.0 113.015 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 107' ' ' TYR . 4.0 t -140.73 158.29 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.556 ' HB3' ' HB ' ' A' ' 108' ' ' VAL . 42.4 p90 -132.65 137.94 47.16 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.084 175.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.404 ' HD2' ' SG ' ' A' ' 24' ' ' CYS . 40.8 m80 -112.92 149.66 32.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.323 -178.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.3 m -105.7 127.14 52.9 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 176.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -124.66 86.16 55.96 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -175.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.448 ' HA ' ' O ' ' A' ' 112' ' ' VAL . 5.8 Cg_exo -79.51 63.25 8.71 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.431 2.088 . . . . 0.0 109.579 167.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -156.06 -72.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.362 -169.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.458 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 57.4 m170 -115.03 144.19 31.6 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 175.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 88' ' ' HIS . 15.0 Cg_exo -68.88 95.96 0.5 Allowed 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.89 2.393 . . . . 0.0 113.86 -173.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.469 ' HB2' ' HB2' ' A' ' 111' ' ' SER . . . 61.79 25.05 15.02 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.473 -0.785 . . . . 0.0 113.042 168.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -131.07 152.58 80.9 Favored Pre-proline 0 C--N 1.32 -0.69 0 O-C-N 122.059 -0.401 . . . . 0.0 110.334 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -73.85 -175.28 2.04 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.886 2.391 . . . . 0.0 113.841 -174.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.0 m -150.28 -179.45 7.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.061 -0.972 . . . . 0.0 108.837 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -59.89 -48.62 80.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.588 0.232 . . . . 0.0 111.156 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.6 m -61.77 -35.23 77.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.049 0.452 . . . . 0.0 111.171 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -66.6 -41.37 88.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.546 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.2 -39.27 86.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.834 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 44.8 mt-10 -58.49 -27.24 64.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.19 178.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -93.27 -13.51 28.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.025 0.441 . . . . 0.0 110.608 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.81 57.88 4.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.137 -178.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.58 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 3.1 m -101.42 12.22 37.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.486 0.66 . . . . 0.0 109.979 177.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -109.67 88.05 6.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.241 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.58 ' HD3' ' O ' ' A' ' 101' ' ' THR . 17.3 Cg_exo -66.15 142.17 66.33 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.579 2.186 . . . . 0.0 111.762 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.2 -21.81 43.87 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.978 -0.63 . . . . 0.0 111.575 -178.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.43 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 17.5 m-85 -83.93 141.65 31.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.03 0.443 . . . . 0.0 110.529 179.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.0 m -95.84 126.78 41.34 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.884 177.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.424 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 90.0 m-85 -103.32 119.46 38.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.848 0.356 . . . . 0.0 110.512 -175.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.556 ' HB ' ' HB3' ' A' ' 82' ' ' TYR . 61.9 t -102.43 126.02 56.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-O 121.149 0.499 . . . . 0.0 110.372 178.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 75.8 mt -114.41 121.43 66.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.886 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.446 HG21 ' HA ' ' A' ' 12' ' ' ARG . 7.2 p -104.0 131.51 52.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.403 0.621 . . . . 0.0 110.792 -179.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.469 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 19.4 t -83.64 107.07 15.85 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.351 178.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.549 HG21 ' HA3' ' A' ' 15' ' ' GLY . 61.4 t -118.45 117.3 54.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -113.04 92.04 3.87 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.866 0.365 . . . . 0.0 110.457 -177.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.504 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 37.5 t70 49.48 65.64 1.34 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.812 176.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.453 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 87.93 -16.34 51.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.886 176.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -103.9 105.23 47.3 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 122.43 -0.453 . . . . 0.0 111.391 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.502 ' CB ' ' HB2' ' A' ' 12' ' ' ARG . 3.7 Cg_exo -77.01 104.87 1.98 Allowed 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.785 2.324 . . . . 0.0 111.153 175.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -70.49 -72.49 0.2 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.261 -175.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -148.81 158.57 44.25 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.984 -175.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.576 HD11 ' HB3' ' A' ' 12' ' ' ARG . 5.6 mp -109.34 133.09 53.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.571 176.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.411 ' OG1' ' HB1' ' A' ' 90' ' ' ALA . 17.5 p -127.77 140.79 51.84 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.901 178.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.55 144.0 38.44 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.129 0.49 . . . . 0.0 110.035 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -132.11 141.51 49.18 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.011 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.8 139.57 39.39 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.708 177.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 103' ' ' PRO . 60.9 tp -80.77 131.25 35.4 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.92 138.18 93.85 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 176.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.04 -33.76 64.5 Favored 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 123.128 2.552 . . . . 0.0 113.126 -177.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.41 ' C ' ' HD2' ' A' ' 129' ' ' ARG . 8.1 t70 -85.79 6.31 28.57 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.996 0.427 . . . . 0.0 110.796 -178.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.41 ' HD2' ' C ' ' A' ' 128' ' ' ASP . 1.0 OUTLIER 61.46 26.97 16.63 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.604 -179.525 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 34.7 t -81.96 -47.75 12.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.677 -174.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -152.22 -175.48 5.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.128 0.49 . . . . 0.0 111.754 -172.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -105.5 147.45 28.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.726 174.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -124.03 147.96 47.42 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.919 0.39 . . . . 0.0 110.065 175.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 134' ' ' ARG . 9.3 tpt180 -70.3 135.09 48.59 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.804 -178.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -120.22 153.42 36.32 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.542 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -106.27 128.56 54.06 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.409 -178.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.402 ' N ' HD12 ' A' ' 137' ' ' ILE . 4.0 mp -83.68 114.95 25.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.101 0.477 . . . . 0.0 110.282 -175.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -109.54 154.95 10.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.381 -178.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -90.52 159.18 41.83 Favored Pre-proline 0 C--N 1.312 -1.038 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.736 175.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.481 ' HD3' ' O ' ' A' ' 3' ' ' THR . 39.1 Cg_exo -57.74 130.82 40.55 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 122.114 1.876 . . . . 0.0 110.52 171.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.59 128.88 10.75 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 123.738 0.648 . . . . 0.0 110.631 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -73.64 30.62 0.32 Allowed 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 123.547 2.831 . . . . 0.0 115.084 -164.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -115.36 -58.72 2.1 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.672 173.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . 53.59 76.3 0.54 Allowed Pre-proline 0 C--O 1.234 0.285 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.515 -174.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -56.95 144.93 87.55 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.918 2.412 . . . . 0.0 112.405 -176.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 80.1 mt -75.93 162.97 27.65 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.21 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -75.53 169.3 18.35 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 120.96 0.41 . . . . 0.0 110.868 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -62.8 147.18 50.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.497 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -66.04 121.23 14.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.042 0.449 . . . . 0.0 111.105 -175.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -121.29 128.32 52.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.898 179.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.37 98.05 6.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.748 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -175.91 130.91 0.25 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 176.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.774 -0.631 . . . . 0.0 110.465 178.704 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ttt . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.826 0.346 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.56 ' HG2' ' HB3' ' A' ' 140' ' ' PRO . 13.7 mptt -112.0 137.49 49.95 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 176.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.9 t -158.45 173.62 16.35 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.119 -176.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.3 p -107.48 151.85 41.12 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.294 -178.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.596 ' HA ' HD12 ' A' ' 8' ' ' LEU . 16.9 Cg_endo -57.88 -33.15 96.66 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.482 2.788 . . . . 0.0 113.073 -178.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -59.63 -39.98 86.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.267 179.06 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.48 ' O ' HG13 ' A' ' 11' ' ' ILE . 51.0 mm -68.45 -41.54 83.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 176.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.636 HD11 HG21 ' A' ' 137' ' ' ILE . 79.0 mt -56.5 -46.73 80.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.078 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.523 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 11.0 t70 -66.41 -37.14 84.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.405 -177.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 46.5 mt-30 -61.27 -36.2 79.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.073 175.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 7' ' ' ILE . 75.6 mt -65.93 -49.84 74.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.068 178.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.523 ' HG2' ' HA ' ' A' ' 9' ' ' ASP . 2.0 ptm180 -64.52 -38.3 90.52 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.082 -178.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.1 t -69.05 -45.97 79.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.661 0.267 . . . . 0.0 110.51 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -65.25 -32.75 74.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.828 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.79 -46.61 91.38 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.991 177.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.07 -27.52 63.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.849 0.357 . . . . 0.0 111.034 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -73.8 -39.22 64.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.306 -177.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.4 -35.84 53.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.969 -176.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.446 ' HA ' ' N ' ' A' ' 21' ' ' GLU . 3.8 m-85 -65.71 162.13 46.68 Favored Pre-proline 0 C--N 1.33 -0.269 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -174.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.401 ' C ' ' HA ' ' A' ' 19' ' ' TYR . 43.9 Cg_endo -68.87 -8.98 9.13 Favored 'Cis proline' 0 C--N 1.354 0.823 0 C-N-CA 124.1 -1.208 . . . . 0.0 114.632 5.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.446 ' N ' ' HA ' ' A' ' 19' ' ' TYR . 41.9 mt-10 -75.62 157.58 33.58 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 176.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -92.35 133.59 35.72 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.073 0.463 . . . . 0.0 110.982 -177.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.54 -63.29 1.23 Allowed Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 176.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 44' ' ' ARG . 63.2 m 62.68 176.38 0.14 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.179 0.514 . . . . 0.0 112.032 175.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 43' ' ' HIS . . . 145.12 -164.82 27.88 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.262 177.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.431 ' HA ' ' HA ' ' A' ' 81' ' ' VAL . 96.0 m-85 -108.73 160.49 15.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.058 0.456 . . . . 0.0 111.158 -177.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.6 mt -104.03 127.42 51.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.599 176.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.584 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 72.3 mt -108.0 145.27 34.14 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.896 0.379 . . . . 0.0 110.521 -176.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.453 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . 176.93 -153.35 13.66 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.699 179.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.2 p -121.28 152.31 39.05 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.716 0.293 . . . . 0.0 110.727 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.0 t -92.78 134.27 31.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.031 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.455 ' O ' ' HB3' ' A' ' 33' ' ' ASP . 8.1 t -115.82 140.08 49.57 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 178.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.455 ' HB3' ' O ' ' A' ' 32' ' ' THR . 28.7 t70 72.79 -12.34 0.77 Allowed 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.508 0.505 . . . . 0.0 111.159 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.427 ' H ' ' C ' ' A' ' 32' ' ' THR . 20.2 t70 75.48 12.73 3.13 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.9 -172.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -125.71 -44.75 0.25 Allowed Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.145 -0.934 . . . . 0.0 112.772 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -102.24 172.21 7.03 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -177.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.782 ' HB2' ' HB ' ' A' ' 79' ' ' VAL . 8.3 p30 -128.98 142.24 50.99 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.16 0.505 . . . . 0.0 111.541 -174.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.475 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 37.9 ttt180 -115.87 105.89 13.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.624 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 49.0 t -84.49 122.62 38.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.681 -176.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -134.62 2.95 3.24 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -176.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.584 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -154.07 150.14 27.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.775 0.322 . . . . 0.0 111.307 179.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.3 mt -109.19 157.02 19.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.178 0.513 . . . . 0.0 111.404 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.407 ' O ' ' HA3' ' A' ' 25' ' ' GLY . 73.6 t60 -141.21 135.69 30.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.665 174.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.453 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 15.9 ptt180 -107.23 140.35 40.25 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 178.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.425 ' HA ' ' OD1' ' A' ' 63' ' ' ASP . . . -49.93 100.02 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 O-C-N 123.75 0.656 . . . . 0.0 111.78 -179.001 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 83.1 m -164.3 136.16 4.64 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.49 -0.929 . . . . 0.0 108.49 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.614 ' CB ' ' HB3' ' A' ' 62' ' ' ASP . 22.3 p-10 -105.99 125.29 50.82 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.494 0.664 . . . . 0.0 111.548 -175.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -104.72 63.26 0.72 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.925 175.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -82.87 97.89 8.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.684 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.5 t -125.47 -36.03 2.51 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.243 0.544 . . . . 0.0 110.633 -178.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.454 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -96.5 139.44 32.59 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.092 -178.022 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -92.36 83.09 4.95 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -122.23 121.21 36.27 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.306 -177.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.2 p -98.25 146.05 26.03 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.669 178.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -107.81 -79.01 0.58 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -135.83 -84.02 0.38 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.796 0.332 . . . . 0.0 110.139 169.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -111.41 1.8 17.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.651 0.739 . . . . 0.0 109.783 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -70.96 90.72 0.83 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.167 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.15 32.66 4.47 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 175.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.8 t -141.09 159.72 41.6 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.01 -174.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 61.73 83.28 0.15 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.425 0.631 . . . . 0.0 112.1 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.614 ' HB3' ' CB ' ' A' ' 47' ' ' ASN . 0.5 OUTLIER -59.56 -42.48 92.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.495 179.393 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.425 ' OD1' ' HA ' ' A' ' 45' ' ' ALA . 36.3 t70 -66.97 -34.01 76.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.293 -177.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -60.1 -45.97 91.17 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 120.882 0.372 . . . . 0.0 110.062 178.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.416 ' HD3' HH11 ' A' ' 65' ' ' ARG . 37.1 mtt180 -61.11 -39.32 89.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.898 177.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.68 -37.55 79.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.045 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.08 -42.74 84.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.314 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.463 ' O ' ' HG2' ' A' ' 72' ' ' GLN . 33.6 t70 -69.36 -40.15 77.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.648 -178.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.509 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -60.4 -53.68 54.72 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.949 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.13 -32.47 74.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.97 0.414 . . . . 0.0 110.401 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.496 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -62.86 -52.26 63.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.81 177.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 10.2 pt20 -66.89 -32.35 73.56 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.881 -178.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 73.9 mt-10 -59.97 -39.97 87.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.257 0.551 . . . . 0.0 110.941 173.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -87.61 -0.24 56.58 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.894 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.89 29.81 64.5 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.251 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.5 mt -126.32 -177.25 3.91 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -178.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -142.23 175.88 9.41 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 173.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.3 t -81.3 111.84 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.131 -178.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.782 ' HB ' ' HB2' ' A' ' 37' ' ' ASN . 29.3 m -106.1 -13.01 9.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.67 -176.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -165.12 -178.74 38.59 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.185 -1.007 . . . . 0.0 112.719 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.431 ' HA ' ' HA ' ' A' ' 26' ' ' PHE . 2.9 t -139.67 157.04 26.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -139.4 136.2 34.45 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.468 0.651 . . . . 0.0 110.849 174.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -144.8 131.78 20.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.007 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.6 p -105.49 154.38 20.44 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.108 0.48 . . . . 0.0 111.271 -174.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 49.3 m80 -114.8 143.34 29.87 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 175.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 8.3 Cg_exo -72.91 84.27 1.3 Allowed 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.603 2.202 . . . . 0.0 111.581 177.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.482 ' CG ' ' HE ' ' A' ' 113' ' ' ARG . 48.3 t0 59.89 90.4 0.06 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.705 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.547 ' HB3' ' HD2' ' A' ' 89' ' ' PRO . 4.9 m170 -155.93 166.54 16.15 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.351 -0.841 . . . . 0.0 108.928 178.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.547 ' HD2' ' HB3' ' A' ' 88' ' ' HIS . 24.2 Cg_endo -61.31 5.35 0.18 Allowed 'Trans proline' 0 N--CA 1.486 1.048 0 C-N-CA 123.278 2.652 . . . . 0.0 115.257 -172.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 70.44 -5.67 1.33 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.736 0.814 . . . . 0.0 113.09 173.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.03 145.65 30.2 Favored Pre-proline 0 C--N 1.312 -1.032 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 174.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_exo -61.18 135.61 59.49 Favored 'Trans proline' 0 C--O 1.236 0.4 0 C-N-CA 122.787 2.324 . . . . 0.0 112.725 -176.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.2 m -86.17 179.44 6.94 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 173.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.684 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -58.38 -47.95 82.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.664 0.268 . . . . 0.0 110.838 179.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.493 ' HA ' ' OE1' ' A' ' 98' ' ' GLU . 87.4 m -65.85 -33.05 74.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.808 -178.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -59.82 -41.47 91.38 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.14 0.495 . . . . 0.0 110.051 176.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.9 tt -69.3 -39.04 78.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.963 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.684 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 55.8 mt-10 -59.94 -40.05 87.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.933 -177.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 95' ' ' THR . 14.9 pt-20 -91.63 -10.48 40.24 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.368 -179.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.92 91.37 6.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.095 0.474 . . . . 0.0 110.11 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.9 m -119.99 26.8 9.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.398 0.618 . . . . 0.0 110.307 -177.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -113.19 86.92 10.09 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.674 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -71.8 143.05 40.57 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.562 2.175 . . . . 0.0 112.236 -178.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.76 -19.91 52.47 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.996 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -91.88 143.72 26.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.873 0.368 . . . . 0.0 110.478 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 36.6 m -92.73 126.58 37.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.011 176.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -96.66 114.82 26.5 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.616 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 67.8 t -97.76 116.61 40.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 121.232 0.539 . . . . 0.0 109.987 174.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.1 mt -110.61 125.27 67.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.778 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.68 ' HB ' HD23 ' A' ' 120' ' ' LEU . 5.1 p -117.39 139.93 42.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.322 178.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.0 t -95.66 106.75 18.88 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.383 176.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.48 ' HA ' ' HA ' ' A' ' 117' ' ' PRO . 22.7 t -108.41 116.59 52.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.09 0.471 . . . . 0.0 109.813 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.482 ' HE ' ' CG ' ' A' ' 87' ' ' ASP . 43.0 ttm180 -94.11 88.43 5.64 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.459 -176.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 37.9 t70 64.5 11.85 6.93 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.937 174.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.473 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 137.27 -22.65 3.21 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.911 -178.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -99.85 105.87 37.34 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.648 0.261 . . . . 0.0 111.339 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.48 ' HA ' ' HA ' ' A' ' 112' ' ' VAL . 5.7 Cg_exo -74.46 113.97 3.92 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.933 2.422 . . . . 0.0 111.323 176.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -88.9 -68.16 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.172 -177.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -110.87 129.7 55.79 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.979 -174.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.68 HD23 ' HB ' ' A' ' 110' ' ' VAL . 15.5 mt -104.94 121.2 43.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.424 171.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 20.0 p -132.27 135.15 46.04 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.687 0.279 . . . . 0.0 110.643 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.92 142.19 41.6 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -134.64 137.69 43.86 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.921 -174.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.68 126.85 52.16 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.941 176.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 64.7 tp -84.68 119.36 25.16 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.75 143.79 98.78 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.814 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo -58.21 -24.74 68.64 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.491 2.127 . . . . 0.0 111.23 176.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -68.73 -22.91 64.3 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.374 176.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 52.12 35.56 16.8 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 114.842 -1.072 . . . . 0.0 112.798 176.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 64.3 m -97.17 -12.35 23.16 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 121.791 -0.568 . . . . 0.0 110.527 173.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -171.75 172.9 4.75 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.452 0.644 . . . . 0.0 110.957 -177.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -106.3 156.48 18.45 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.877 -1.056 . . . . 0.0 108.317 173.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -122.68 140.45 52.84 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 120.944 0.402 . . . . 0.0 109.975 178.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -62.59 136.6 57.97 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.301 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -131.72 156.95 45.02 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.79 -1.096 . . . . 0.0 108.18 177.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -126.26 163.3 23.5 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.084 0.469 . . . . 0.0 110.194 178.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.636 HG21 HD11 ' A' ' 8' ' ' LEU . 50.4 mm -84.03 114.73 25.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 2.4 m -121.12 134.26 65.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -175.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 139' ' ' ARG . 34.3 mtm-85 -93.1 104.79 12.87 Favored Pre-proline 0 C--N 1.319 -0.742 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 170.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.56 ' HB3' ' HG2' ' A' ' 2' ' ' LYS . 61.6 Cg_endo -71.23 154.88 61.53 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 123.071 2.514 . . . . 0.0 114.607 -165.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -93.1 111.1 50.19 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.326 -0.852 . . . . 0.0 108.756 170.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -62.88 133.52 42.11 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 122.857 2.371 . . . . 0.0 112.914 -173.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.408 ' O ' ' HD3' ' A' ' 145' ' ' PRO . 0.2 OUTLIER 55.3 40.38 31.52 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 113.721 -1.581 . . . . 0.0 113.644 174.513 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.427 ' HA ' ' HD3' ' A' ' 145' ' ' PRO . . . -87.3 102.32 3.12 Favored Pre-proline 0 C--N 1.315 -0.898 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.001 167.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 144' ' ' ALA . 10.6 Cg_exo -69.6 138.2 37.75 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.962 2.442 . . . . 0.0 113.184 -171.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 94.0 mt -105.34 -52.77 2.77 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.275 174.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -117.9 81.32 1.65 Allowed 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 121.602 0.715 . . . . 0.0 110.298 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -97.71 -10.3 25.2 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.386 -0.824 . . . . 0.0 108.992 176.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . 0.447 ' O ' ' HB3' ' A' ' 150' ' ' HIS . 23.6 t-80 -120.22 134.68 55.2 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.988 178.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.447 ' HB3' ' O ' ' A' ' 149' ' ' HIS . 19.3 t-80 70.32 81.09 0.17 Allowed 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.629 0.728 . . . . 0.0 110.095 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -99.22 168.99 9.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.316 -173.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -100.18 157.94 16.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.242 -0.89 . . . . 0.0 108.716 167.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 . . . . . 0 C--N 1.317 -0.839 0 CA-C-O 118.418 -0.801 . . . . 0.0 110.42 -179.476 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.49 ' HB2' HG21 ' A' ' 106' ' ' THR . 24.9 ttt . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 120.663 0.268 . . . . 0.0 111.296 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 138' ' ' VAL . 13.8 mptt -110.19 124.42 51.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.718 176.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.465 ' O ' ' HA ' ' A' ' 139' ' ' ARG . 10.1 t -159.52 173.75 15.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.476 175.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.6 p -96.06 153.88 39.03 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-O 121.049 0.452 . . . . 0.0 111.287 -177.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.417 ' HA ' HD12 ' A' ' 8' ' ' LEU . 14.1 Cg_endo -58.36 -26.59 78.05 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.021 2.481 . . . . 0.0 111.971 175.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -59.7 -48.93 79.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.272 176.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.617 ' O ' HG13 ' A' ' 11' ' ' ILE . 39.8 mm -61.88 -42.92 96.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.179 176.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.619 HD21 HG21 ' A' ' 137' ' ' ILE . 91.7 mt -56.32 -40.91 75.15 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.531 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.546 ' HA ' ' NH1' ' A' ' 12' ' ' ARG . 13.9 t70 -66.7 -44.04 82.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.06 0.457 . . . . 0.0 109.825 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -63.9 -30.9 71.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.58 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.617 HG13 ' O ' ' A' ' 7' ' ' ILE . 73.2 mt -61.63 -40.85 88.12 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-O 120.81 0.338 . . . . 0.0 110.323 176.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.546 ' NH1' ' HA ' ' A' ' 9' ' ' ASP . 55.0 mtm-85 -65.64 -39.76 91.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 0.0 110.149 177.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 9' ' ' ASP . 57.6 t -56.35 -38.63 56.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.41 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -31.9 63.47 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 177.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.4 -50.19 69.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.892 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.27 -42.73 54.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.851 0.358 . . . . 0.0 111.319 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.68 -38.8 92.22 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.869 -173.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.634 ' HB1' ' HG2' ' A' ' 22' ' ' GLU . . . -82.7 -33.01 27.74 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.491 -174.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.406 ' HE2' ' HA ' ' A' ' 114' ' ' ASP . 0.8 OUTLIER -52.58 139.12 40.04 Favored Pre-proline 0 C--N 1.332 -0.178 0 O-C-N 123.317 0.385 . . . . 0.0 110.837 -175.642 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -90.59 -2.88 56.88 Favored 'Cis proline' 0 CA--C 1.535 0.544 0 C-N-CA 123.729 -1.363 . . . . 0.0 114.292 3.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -80.63 176.55 9.7 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -173.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.634 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 0.3 OUTLIER 47.33 -154.34 0.07 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.424 1.089 . . . . 0.0 111.54 -175.128 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.81 -38.71 1.26 Allowed Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 -176.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.0 p -110.68 166.44 11.01 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 174.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 172.11 178.45 42.35 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.344 -0.931 . . . . 0.0 112.016 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -109.8 149.85 29.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.048 0.451 . . . . 0.0 111.178 -175.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 73.6 mt -98.98 124.99 44.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.523 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.53 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 85.6 mt -104.69 133.09 50.12 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.097 0.475 . . . . 0.0 110.563 -177.082 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -179.84 -152.43 10.8 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.086 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.9 p -136.14 160.37 38.88 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.7 t -88.42 106.33 16.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 173.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.4 t -77.29 121.59 23.92 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.158 -171.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.495 ' O ' ' HB3' ' A' ' 34' ' ' ASP . 6.1 t70 63.89 -0.15 0.84 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 114.214 -1.357 . . . . 0.0 111.93 177.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.495 ' HB3' ' O ' ' A' ' 33' ' ' ASP . 31.9 t70 73.6 19.58 3.27 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 122.15 0.976 . . . . 0.0 109.334 -175.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -105.11 -24.82 7.02 Favored Glycine 0 CA--C 1.521 0.414 0 CA-C-N 115.108 -0.951 . . . . 0.0 113.245 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -170.13 170.98 7.13 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -88.75 130.31 35.37 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.202 0.525 . . . . 0.0 111.053 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -107.67 106.38 16.68 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.719 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.9 t -94.5 116.66 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.141 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -117.35 -20.16 9.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.718 -176.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.53 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -132.65 142.21 48.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.967 0.413 . . . . 0.0 111.151 -178.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.4 mt -107.65 134.74 50.2 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.588 178.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -119.02 120.64 37.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.804 0.335 . . . . 0.0 110.274 176.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.579 ' HA ' ' OH ' ' A' ' 82' ' ' TYR . 76.5 mtt180 -82.71 134.99 35.13 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.723 -0.844 . . . . 0.0 108.723 177.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.98 100.32 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.088 0.47 . . . . 0.0 110.59 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.28 105.2 4.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.905 -177.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -86.22 137.35 32.7 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.514 -174.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -129.05 110.56 12.15 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 173.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -76.37 112.61 13.05 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.676 0.75 . . . . 0.0 111.297 -178.307 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.7 m -111.91 85.47 2.15 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-N 115.165 -0.925 . . . . 0.0 108.609 171.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.712 ' HG3' HD13 ' A' ' 59' ' ' LEU . 1.6 mp0 -48.0 105.22 0.07 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.175 -176.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -76.98 142.61 39.91 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.383 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -76.1 -26.6 56.59 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.148 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.5 p -85.52 146.39 26.94 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.823 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 68.45 -171.76 0.18 Allowed 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.717 0.635 . . . . 0.0 111.157 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.425 ' O ' ' HB2' ' A' ' 57' ' ' TYR . 14.7 ttm180 -145.37 148.39 33.31 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.425 ' HB2' ' O ' ' A' ' 56' ' ' ARG . 75.8 m-85 73.05 -43.23 0.56 Allowed 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.234 0.614 . . . . 0.0 111.51 -176.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -76.49 76.8 3.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.138 0.494 . . . . 0.0 111.695 177.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.712 HD13 ' HG3' ' A' ' 51' ' ' GLU . 35.1 mt -79.17 -32.73 44.29 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 169.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 12.7 t -166.08 164.14 18.11 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 113.835 -1.53 . . . . 0.0 107.634 172.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.576 ' HB3' ' HG3' ' A' ' 65' ' ' ARG . . . -117.71 95.54 4.98 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 121.07 -0.252 . . . . 0.0 110.414 -176.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.414 ' HB3' ' H ' ' A' ' 64' ' ' TYR . 5.1 t0 56.41 -161.61 0.19 Allowed 'General case' 0 CA--C 1.532 0.287 0 O-C-N 123.902 0.752 . . . . 0.0 110.137 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -79.92 -7.44 58.76 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 170.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.414 ' H ' ' HB3' ' A' ' 62' ' ' ASP . 69.5 t80 -54.9 -50.8 67.87 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.413 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.576 ' HG3' ' HB3' ' A' ' 61' ' ' ALA . 35.4 mtt180 -60.52 -36.21 77.83 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -176.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.48 -41.38 80.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.961 0.41 . . . . 0.0 110.457 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.16 -40.56 86.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.923 174.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.05 -45.09 96.17 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.267 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.11 -51.24 67.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.018 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.12 -33.27 75.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.338 -178.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.497 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -62.0 -51.32 68.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.307 176.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -59.94 -44.23 94.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.771 179.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.42 -43.43 83.8 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 177.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -83.68 -4.59 58.73 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.128 -178.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.21 32.76 59.9 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.882 -177.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.2 mt -125.94 -179.75 4.84 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -143.87 177.49 8.5 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 174.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.8 t -81.18 110.43 16.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.892 0.377 . . . . 0.0 110.364 -176.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.5 m -111.64 -1.46 9.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.708 -176.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.498 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -174.76 -179.96 45.68 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 119.755 -1.212 . . . . 0.0 113.334 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 107' ' ' TYR . 3.8 t -138.67 153.86 26.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.579 ' OH ' ' HA ' ' A' ' 44' ' ' ARG . 11.7 p90 -127.57 152.67 47.33 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.787 177.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -134.31 126.51 29.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.545 176.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.1 m -105.75 126.1 51.77 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 66.3 m170 -100.65 142.69 25.11 Favored Pre-proline 0 C--N 1.322 -0.609 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.305 -178.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -82.1 98.31 0.94 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 122.727 2.284 . . . . 0.0 110.256 171.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 44.8 t0 70.29 -170.69 0.17 Allowed 'General case' 0 C--O 1.237 0.427 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -176.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 32.7 m170 67.93 160.86 0.14 Allowed Pre-proline 0 N--CA 1.472 0.657 0 C-N-CA 123.447 0.699 . . . . 0.0 111.829 178.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -57.67 154.88 34.5 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 123.186 2.591 . . . . 0.0 113.329 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -83.25 37.33 0.55 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.752 -176.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.501 ' NH1' ' HA ' ' A' ' 93' ' ' SER . 7.7 ppt_? -113.79 151.98 45.17 Favored Pre-proline 0 C--N 1.322 -0.587 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -61.79 132.36 39.59 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.802 2.335 . . . . 0.0 112.692 -177.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.501 ' HA ' ' NH1' ' A' ' 91' ' ' ARG . 12.6 t -95.3 -170.77 2.24 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 176.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.1 -47.45 74.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.922 0.392 . . . . 0.0 111.175 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.7 m -67.44 -39.87 85.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.528 -177.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -61.43 -42.27 98.49 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.054 0.454 . . . . 0.0 110.062 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.65 -44.09 74.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.973 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -68.64 -33.13 73.49 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.502 -176.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -94.9 8.1 43.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.022 0.439 . . . . 0.0 111.302 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.03 61.55 6.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.358 0.599 . . . . 0.0 110.266 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.672 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 6.1 t -95.85 8.26 44.07 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.817 -175.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.481 ' HB3' ' CD1' ' A' ' 105' ' ' PHE . 76.4 m-85 -104.64 87.13 1.64 Allowed Pre-proline 0 C--N 1.317 -0.839 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.33 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.672 ' HD3' ' O ' ' A' ' 101' ' ' THR . 4.0 Cg_exo -76.08 123.86 7.56 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.64 2.227 . . . . 0.0 111.917 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 109.4 -7.82 32.44 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.809 -179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.498 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 33.8 m-85 -93.72 151.19 19.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.704 0.288 . . . . 0.0 110.497 178.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.49 HG21 ' HB2' ' A' ' 1' ' ' MET . 25.2 m -92.38 126.78 37.61 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.3 178.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.432 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 88.9 m-85 -102.99 115.35 30.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.054 -177.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 99.8 t -101.7 125.9 55.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 174.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 68.6 mt -120.11 129.73 75.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.203 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.768 ' HB ' ' HB3' ' A' ' 120' ' ' LEU . 3.3 p -130.67 132.03 64.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-O 121.301 0.572 . . . . 0.0 110.705 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.6 m -84.24 111.66 19.58 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.812 177.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.3 t -111.61 115.97 51.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 176.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.35 86.21 2.78 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -176.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.406 ' HA ' ' HE2' ' A' ' 19' ' ' TYR . 38.6 t70 54.32 62.88 2.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.673 -179.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.01 -35.64 4.01 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.786 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.424 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . . . -86.25 111.29 37.71 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.75 0.31 . . . . 0.0 111.724 -176.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 116' ' ' ALA . 1.3 Cg_endo -84.32 110.94 1.53 Allowed 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 123.267 2.644 . . . . 0.0 111.511 179.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -77.23 -76.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -176.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -139.12 141.54 38.09 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.029 -175.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.768 ' HB3' ' HB ' ' A' ' 110' ' ' VAL . 2.4 pp -119.42 152.71 36.39 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.912 172.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.486 HG21 ' NE ' ' A' ' 134' ' ' ARG . 5.1 m -149.44 161.88 41.23 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 176.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -108.95 138.67 44.93 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.405 ' CZ3' ' HB2' ' A' ' 134' ' ' ARG . 78.4 m95 -123.18 140.13 53.34 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.845 -175.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.45 128.06 52.27 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.452 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.72 HD21 ' HG2' ' A' ' 129' ' ' ARG . 57.5 tp -80.97 135.79 35.92 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.128 -178.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.436 ' HB3' ' H ' ' A' ' 131' ' ' GLU . . . -62.09 149.66 85.89 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 174.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -37.27 -57.81 0.65 Allowed 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 123.797 2.998 . . . . 0.0 114.432 -175.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -102.4 31.08 4.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.083 0.468 . . . . 0.0 110.895 -176.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.72 ' HG2' HD21 ' A' ' 125' ' ' LEU . 55.5 mtm180 66.35 18.32 10.86 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.406 176.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 11.7 m -65.77 -29.3 69.78 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -173.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.436 ' H ' ' HB3' ' A' ' 126' ' ' ALA . 12.6 pt-20 -169.61 179.74 3.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.614 0.245 . . . . 0.0 110.778 -178.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -116.05 153.62 31.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.639 175.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -127.7 147.02 50.38 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 172.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.486 ' NE ' HG21 ' A' ' 121' ' ' THR . 46.6 ttt180 -95.57 146.07 24.74 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.991 0.424 . . . . 0.0 111.33 -174.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -140.66 153.53 46.04 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.955 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -96.92 154.01 17.55 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 173.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.619 HG21 HD21 ' A' ' 8' ' ' LEU . 3.4 mp -83.52 122.0 37.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.096 0.474 . . . . 0.0 110.437 -174.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 3.7 m -109.68 154.17 11.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.803 178.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.465 ' HA ' ' O ' ' A' ' 3' ' ' THR . 44.9 mtm180 -78.45 158.55 76.22 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.818 179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -72.85 99.01 1.03 Allowed 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.835 1.69 . . . . 0.0 111.576 174.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -97.14 107.34 37.44 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.898 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -83.24 30.69 0.53 Allowed 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 123.051 2.501 . . . . 0.0 111.485 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -118.46 0.3 11.58 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.788 -175.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.453 ' HA ' ' HD3' ' A' ' 145' ' ' PRO . . . -77.33 132.22 70.28 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.828 179.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 144' ' ' ALA . 20.1 Cg_exo -66.51 162.54 36.3 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.716 2.278 . . . . 0.0 112.132 176.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 96.0 mt -55.65 143.46 30.21 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.749 -178.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.15 152.39 32.79 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.171 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -163.15 27.73 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.496 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -77.54 88.44 3.86 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 178.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -87.77 -55.38 3.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.309 177.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 84.5 t60 57.07 80.68 0.15 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.898 -177.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -102.89 -20.98 14.07 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 23.1 p80 . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.25 -0.881 . . . . 0.0 109.26 176.133 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.673 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 24.0 ttt . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 120.733 0.302 . . . . 0.0 111.301 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 138' ' ' VAL . 0.0 OUTLIER -113.71 134.41 54.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.88 176.51 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.5 t -157.6 144.88 18.4 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.817 0.341 . . . . 0.0 110.726 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.548 ' HB ' ' OD1' ' A' ' 6' ' ' ASP . 0.7 OUTLIER -74.51 151.2 87.26 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.031 -175.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -62.32 -31.32 81.73 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.919 2.412 . . . . 0.0 112.361 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.548 ' OD1' ' HB ' ' A' ' 4' ' ' THR . 5.7 p-10 -66.77 -32.88 74.47 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.621 178.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.548 ' O ' HG13 ' A' ' 11' ' ' ILE . 46.3 mm -67.94 -44.69 84.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 174.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.8 mt -58.95 -38.17 78.44 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.807 177.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.503 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 32.3 t70 -63.7 -47.16 82.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.28 0.562 . . . . 0.0 110.496 176.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.443 ' NE2' HD13 ' A' ' 7' ' ' ILE . 47.8 mt-30 -60.37 -31.36 70.27 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.18 176.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.548 HG13 ' O ' ' A' ' 7' ' ' ILE . 78.5 mt -68.03 -49.07 71.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.158 177.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' A' ' 9' ' ' ASP . 16.3 ptt180 -64.32 -36.72 85.05 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.634 0.254 . . . . 0.0 110.772 -178.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.6 t -69.13 -39.19 79.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.993 0.425 . . . . 0.0 109.89 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.667 ' HE1' ' HD3' ' A' ' 44' ' ' ARG . 80.9 t60 -59.09 -28.92 66.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.404 178.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.42 -47.51 90.77 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.483 -0.865 . . . . 0.0 111.966 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.8 -36.95 62.48 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.198 0.523 . . . . 0.0 110.959 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.427 ' HB3' ' HA ' ' A' ' 14' ' ' HIS . 17.1 t70 -67.09 -39.6 86.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.174 -174.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.429 ' HB1' ' HA3' ' A' ' 23' ' ' GLY . . . -75.55 -38.7 59.05 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.733 -177.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -71.31 159.22 86.19 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.358 -175.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -73.17 -4.2 14.96 Favored 'Cis proline' 0 N--CA 1.477 0.512 0 C-N-CA 124.029 -1.238 . . . . 0.0 114.195 4.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -67.66 157.31 34.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.159 0.504 . . . . 0.0 111.291 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -71.2 98.38 1.7 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.853 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.429 ' HA3' ' HB1' ' A' ' 18' ' ' ALA . . . -81.89 52.7 4.64 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.07 -0.586 . . . . 0.0 113.21 -175.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.6 p -68.49 153.69 43.27 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 120.957 0.408 . . . . 0.0 111.373 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -175.39 175.96 47.26 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.58 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -124.24 160.84 27.06 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.747 0.308 . . . . 0.0 110.457 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.4 mt -94.29 112.06 23.84 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.557 178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.559 HD22 ' HB2' ' A' ' 71' ' ' ALA . 51.0 mt -104.72 132.38 51.03 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.136 0.493 . . . . 0.0 110.424 -177.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.541 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . -173.23 -146.31 5.42 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.493 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.5 p -129.95 159.57 36.24 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.808 0.337 . . . . 0.0 110.778 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.1 t -88.04 106.22 16.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 175.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.628 ' HB ' ' HE ' ' A' ' 38' ' ' ARG . 3.3 t -99.04 152.35 19.92 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.475 -1.239 . . . . 0.0 110.035 -173.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.487 ' HA ' ' HA ' ' A' ' 146' ' ' LEU . 4.2 m-20 67.95 -0.75 1.94 Allowed 'General case' 0 N--CA 1.462 0.159 0 O-C-N 123.69 0.619 . . . . 0.0 110.433 179.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.866 ' HB3' ' HB2' ' A' ' 147' ' ' GLU . 8.0 t70 51.95 61.99 2.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.657 -1.156 . . . . 0.0 109.623 -170.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.47 -31.82 0.16 Allowed Glycine 0 N--CA 1.444 -0.819 0 CA-C-N 114.341 -1.3 . . . . 0.0 111.962 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -107.03 178.2 4.63 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.855 ' HB2' ' HB ' ' A' ' 79' ' ' VAL . 20.9 p-10 -136.9 128.16 28.07 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.056 0.455 . . . . 0.0 111.15 -173.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.628 ' HE ' ' HB ' ' A' ' 32' ' ' THR . 9.8 ptp180 -115.79 145.42 42.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.288 0.566 . . . . 0.0 110.7 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.6 t -101.66 117.85 47.58 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.02 -177.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -107.58 -24.81 11.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.468 -176.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -152.61 153.77 34.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.225 0.536 . . . . 0.0 111.295 -176.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.7 mt -117.0 149.51 40.14 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.311 176.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -144.86 134.74 23.71 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 177.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.667 ' HD3' ' HE1' ' A' ' 14' ' ' HIS . 7.9 mmm180 -72.89 135.87 45.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.218 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.472 ' HB1' ' OD1' ' A' ' 63' ' ' ASP . . . -98.69 -166.44 1.36 Allowed 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.021 172.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.6 t -120.91 174.47 6.59 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 176.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -76.58 89.9 3.33 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 171.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.84 126.45 5.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.884 -1.053 . . . . 0.0 113.425 -172.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.443 ' HE ' ' CG ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -119.89 48.67 1.5 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.739 -1.119 . . . . 0.0 108.618 177.39 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.6 p -67.34 -4.09 9.94 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 114.691 -1.141 . . . . 0.0 113.271 -171.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 66.98 -164.28 0.22 Allowed 'General case' 0 CA--C 1.535 0.398 0 O-C-N 123.145 0.278 . . . . 0.0 110.524 175.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.94 131.8 45.68 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -79.87 93.79 5.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.805 -175.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.455 HG22 ' H ' ' A' ' 57' ' ' TYR . 25.3 m -76.26 133.36 40.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.902 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -86.13 -41.73 14.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.393 -177.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.2 mtt85 -97.18 -12.03 23.55 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -170.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.455 ' H ' HG22 ' A' ' 54' ' ' THR . 4.2 t80 -121.86 128.52 51.72 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.139 -0.624 . . . . 0.0 110.901 -176.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -85.72 129.13 34.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.749 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -121.59 -169.0 1.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 174.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.5 t -78.94 136.29 37.21 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 175.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.45 109.04 19.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.891 0.377 . . . . 0.0 110.979 -177.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.443 ' CG ' ' HE ' ' A' ' 49' ' ' ARG . 27.9 t70 -87.54 151.33 23.09 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.06 -177.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.472 ' OD1' ' HB1' ' A' ' 45' ' ' ALA . 36.2 t70 68.31 -74.82 0.07 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.96 0.904 . . . . 0.0 112.781 176.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -52.18 -45.35 65.11 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -173.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.4 ' HA ' ' HB3' ' A' ' 68' ' ' ASP . 4.3 mmt180 -53.55 -34.16 57.28 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -178.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.73 -47.52 75.03 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.536 -178.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.75 -35.8 75.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.231 0.539 . . . . 0.0 109.989 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.4 ' HB3' ' HA ' ' A' ' 65' ' ' ARG . 13.7 t70 -62.84 -48.59 78.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.019 178.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.45 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -69.25 -49.84 52.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.099 -177.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.68 -34.48 69.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.119 -177.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.559 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -63.05 -52.18 63.78 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.211 177.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -64.66 -35.23 80.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.85 -178.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 54.8 mt-10 -60.85 -38.25 84.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.43 0.633 . . . . 0.0 110.888 176.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -90.01 5.78 45.09 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.963 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.98 16.89 79.28 Favored Glycine 0 C--N 1.329 0.192 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.647 178.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 67.1 mt -114.1 -176.83 2.99 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -150.15 170.75 18.19 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 173.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.8 t -77.32 108.26 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.91 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.855 ' HB ' ' HB2' ' A' ' 37' ' ' ASN . 29.0 m -102.92 -6.45 9.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.445 -177.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.433 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -176.3 174.44 46.96 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.412 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.5 t -121.4 152.03 24.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -135.61 134.91 39.79 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.252 -177.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -150.35 150.5 31.52 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.762 174.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.4 p -103.97 144.64 31.26 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 177.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.447 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 2.3 t-160 -130.38 138.41 32.99 Favored Pre-proline 0 C--N 1.319 -0.718 0 C-N-CA 119.497 -0.881 . . . . 0.0 111.85 -170.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.464 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 61.4 Cg_endo -104.76 -171.45 0.06 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.147 0 C-N-CA 124.32 3.347 . . . . 0.0 110.571 165.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.464 ' HB3' ' O ' ' A' ' 86' ' ' PRO . 19.8 t70 70.81 -69.7 0.17 Allowed 'General case' 0 N--CA 1.474 0.749 0 CA-C-O 120.807 0.337 . . . . 0.0 110.449 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 61.0 m80 -107.2 140.27 21.28 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 167.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -84.57 -58.9 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 121.543 1.495 . . . . 0.0 115.025 -165.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.421 ' O ' ' HZ2' ' A' ' 123' ' ' TRP . . . -128.95 43.24 3.18 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.121 0.486 . . . . 0.0 111.328 -170.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.542 ' HB2' ' HD2' ' A' ' 92' ' ' PRO . 34.9 ptt85 -164.83 161.62 15.02 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.003 172.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.542 ' HD2' ' HB2' ' A' ' 91' ' ' ARG . 39.6 Cg_endo -66.7 -174.75 0.49 Allowed 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.629 2.219 . . . . 0.0 113.286 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.474 ' H ' ' HB3' ' A' ' 96' ' ' ASP . 49.3 m -151.08 -169.88 3.51 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.335 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.46 -49.28 74.28 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -171.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.2 m -79.47 -34.86 41.07 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.805 0.336 . . . . 0.0 110.53 -177.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.474 ' HB3' ' H ' ' A' ' 93' ' ' SER . 3.7 t70 -58.87 -39.57 81.77 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.638 176.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -69.28 -45.33 69.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.433 177.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -62.13 -39.37 92.34 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -173.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -79.88 -17.28 53.54 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.6 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -83.24 67.19 9.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.302 0.572 . . . . 0.0 110.418 177.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.7 m -95.89 11.94 32.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.453 -175.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -120.38 86.92 39.69 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.21 0.528 . . . . 0.0 111.44 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.478 ' HA ' HD23 ' A' ' 125' ' ' LEU . 66.4 Cg_endo -76.26 88.81 1.31 Allowed 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.552 2.168 . . . . 0.0 112.457 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -172.04 21.94 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.082 176.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.433 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 92.0 m-85 -141.47 163.67 32.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.558 0.218 . . . . 0.0 110.545 -177.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.0 m -92.75 138.42 31.51 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 173.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -111.46 114.41 27.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.826 0.346 . . . . 0.0 111.232 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.4 t -98.08 116.54 41.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.028 0.442 . . . . 0.0 109.918 175.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.0 mt -111.77 117.9 56.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.322 177.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.6 p -109.57 136.91 44.06 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-O 121.191 0.52 . . . . 0.0 110.195 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.48 ' HB3' ' H ' ' A' ' 119' ' ' ALA . 32.7 t -81.19 107.25 13.83 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.296 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 65.6 t -118.48 115.68 48.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.588 178.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.516 ' HB2' ' HB3' ' A' ' 116' ' ' ALA . 19.4 mtp180 -91.66 49.29 1.55 Allowed 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.848 -176.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 30.7 t70 62.74 84.13 0.15 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.79 -178.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 81.99 -2.19 84.54 Favored Glycine 0 N--CA 1.452 -0.252 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.482 -179.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.516 ' HB3' ' HB2' ' A' ' 113' ' ' ARG . . . -120.84 112.43 33.66 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 122.618 -0.342 . . . . 0.0 111.401 -178.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 116' ' ' ALA . 4.4 Cg_exo -77.82 118.18 4.41 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.998 2.465 . . . . 0.0 111.327 176.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.475 ' OE2' ' HD2' ' A' ' 113' ' ' ARG . 42.4 tt0 -100.11 -69.04 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.803 0.335 . . . . 0.0 110.976 -177.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.48 ' H ' ' HB3' ' A' ' 111' ' ' SER . . . -144.17 154.89 43.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.801 -177.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.2 tt -119.15 128.69 54.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 37.3 p -131.72 141.24 49.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.631 0.253 . . . . 0.0 111.123 -177.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -113.05 133.53 54.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.851 0.358 . . . . 0.0 110.192 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.421 ' HZ2' ' O ' ' A' ' 90' ' ' ALA . 70.5 m95 -128.74 149.81 50.55 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.288 -173.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -110.79 131.06 55.37 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.411 174.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 103' ' ' PRO . 50.7 tp -81.11 139.61 35.54 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.458 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . . . -61.64 142.77 94.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.455 177.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 126' ' ' ALA . 32.1 Cg_exo -59.15 -21.34 59.03 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.919 2.413 . . . . 0.0 112.756 -177.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -113.78 26.22 10.54 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 46.15 34.03 1.96 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.044 0.938 . . . . 0.0 111.966 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.36 -39.92 77.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.629 -179.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -178.71 -174.52 0.37 Allowed 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.067 -175.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.451 ' CD1' ' HG3' ' A' ' 92' ' ' PRO . 82.5 m-85 -106.04 144.46 32.72 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 176.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -124.48 146.2 49.08 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 176.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 18.1 tpt85 -79.24 134.81 36.65 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.433 -175.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -131.49 162.1 31.01 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.449 -176.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -101.92 144.13 30.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.87 0.367 . . . . 0.0 111.337 -174.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 58.8 mt -96.63 131.93 42.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.531 -178.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.55 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 1.3 m -109.59 150.09 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.93 0.395 . . . . 0.0 110.829 178.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.554 ' HG2' ' HD2' ' A' ' 140' ' ' PRO . 9.5 ttp180 -94.04 139.59 22.63 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.476 -175.122 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.554 ' HD2' ' HG2' ' A' ' 139' ' ' ARG . 29.6 Cg_exo -27.23 125.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.762 1 C-N-CA 125.743 4.295 . . . . 0.0 115.817 -177.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.54 111.27 54.86 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 114.223 -1.353 . . . . 0.0 110.287 177.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -88.53 21.54 0.98 Allowed 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 122.589 2.192 . . . . 0.0 112.174 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -142.47 18.07 2.04 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.545 -177.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.42 ' HA ' ' HD3' ' A' ' 145' ' ' PRO . . . -76.17 120.19 80.59 Favored Pre-proline 0 C--N 1.317 -0.843 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.135 -178.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 144' ' ' ALA . 3.9 Cg_exo -75.41 129.36 11.91 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 122.683 2.255 . . . . 0.0 111.547 177.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.659 ' H ' HD23 ' A' ' 146' ' ' LEU . 2.3 pt? -89.79 146.14 24.68 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.366 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.866 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 3.3 mm-40 -81.39 136.79 35.73 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-O 121.226 0.536 . . . . 0.0 111.366 178.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -149.66 35.42 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.557 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -83.4 136.45 34.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.524 175.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -72.3 94.93 1.65 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.947 0.403 . . . . 0.0 111.398 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -81.28 161.81 23.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.927 173.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -94.95 157.26 15.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.038 0.447 . . . . 0.0 110.581 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 . . . . . 0 C--N 1.32 -0.707 0 CA-C-O 118.085 -0.96 . . . . 0.0 109.726 -174.724 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.531 ' HA ' ' O ' ' A' ' 138' ' ' VAL . 12.3 mptt -106.02 120.59 42.17 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.882 0.372 . . . . 0.0 110.745 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.0 t -159.4 173.87 15.58 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.45 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.8 p -103.1 156.09 35.79 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 120.766 0.317 . . . . 0.0 110.711 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.404 ' HA ' HD12 ' A' ' 8' ' ' LEU . 11.8 Cg_endo -57.42 -29.38 84.26 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.832 2.354 . . . . 0.0 111.841 176.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.91 -40.05 91.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.271 176.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.481 ' O ' HG13 ' A' ' 11' ' ' ILE . 50.3 mm -73.31 -40.22 56.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.345 -0.389 . . . . 0.0 109.969 177.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.541 HD11 HG21 ' A' ' 137' ' ' ILE . 95.0 mt -56.41 -43.32 79.24 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.392 178.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -60.43 -47.88 84.2 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.485 177.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -57.37 -39.96 77.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.741 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 7' ' ' ILE . 72.5 mt -59.63 -48.95 85.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.872 0.367 . . . . 0.0 110.6 178.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.8 ttp180 -65.32 -43.65 90.31 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.384 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.0 t -64.7 -48.3 85.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.315 -178.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -66.1 -28.59 68.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.557 0.218 . . . . 0.0 111.578 -177.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.4 -49.29 75.46 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.034 176.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.519 ' HB2' ' HG3' ' A' ' 117' ' ' PRO . . . -74.1 -26.98 60.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.886 0.374 . . . . 0.0 110.953 177.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -65.17 -38.52 90.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.109 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.54 -27.28 55.87 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.276 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.745 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 4.7 t80 -59.48 150.12 66.77 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.805 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.745 ' HA ' ' CG ' ' A' ' 19' ' ' TYR . 5.5 Cg_exo -78.41 -4.51 34.47 Favored 'Cis proline' 0 C--N 1.352 0.716 0 C-N-CA 124.703 -0.957 . . . . 0.0 114.002 5.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -75.41 152.79 37.95 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -72.31 111.7 7.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.336 0.589 . . . . 0.0 110.666 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.8 -81.19 0.43 Allowed Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.533 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 58.0 m 66.8 160.04 0.14 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.261 0.553 . . . . 0.0 111.487 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.479 ' HA2' ' N ' ' A' ' 45' ' ' ALA . . . 176.9 -175.29 47.59 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.204 -0.998 . . . . 0.0 112.674 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -120.17 153.39 36.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.785 0.326 . . . . 0.0 110.215 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.9 mt -94.04 121.98 36.08 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.603 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.563 HD22 ' HB2' ' A' ' 71' ' ' ALA . 62.6 mt -104.08 131.84 50.94 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.102 0.477 . . . . 0.0 110.012 -178.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.473 ' HA2' HD13 ' A' ' 76' ' ' LEU . . . 178.3 -148.28 8.4 Favored Glycine 0 N--CA 1.442 -0.956 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -178.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.483 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -137.09 147.18 45.91 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.259 179.123 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.5 t -97.88 123.88 50.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 174.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 59.4 p -79.92 172.5 13.69 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.374 0.607 . . . . 0.0 111.66 -174.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -59.86 -36.56 77.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.072 172.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -76.94 -3.99 41.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.127 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.27 25.91 35.23 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.271 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -85.47 133.59 34.09 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 121.104 0.478 . . . . 0.0 110.02 177.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -98.88 103.16 15.09 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 174.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 30' ' ' THR . 29.6 ptt180 -112.24 143.75 42.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.296 0.57 . . . . 0.0 110.294 -176.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.0 t -114.74 120.26 63.88 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.638 -173.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -114.92 -8.88 12.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.554 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.503 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -149.17 150.4 32.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.863 0.363 . . . . 0.0 111.223 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.8 mt -121.1 156.62 31.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.193 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -163.38 132.33 3.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.36 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -71.96 137.24 47.18 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 174.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.824 ' HB1' ' HB3' ' A' ' 63' ' ' ASP . . . -53.33 -77.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.742 0.651 . . . . 0.0 112.552 -171.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.17 122.6 17.44 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 120.878 0.371 . . . . 0.0 110.248 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.481 HD22 ' CG ' ' A' ' 62' ' ' ASP . 0.8 OUTLIER -72.7 -42.2 64.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.442 -176.682 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 66.67 -10.92 0.26 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.593 0.757 . . . . 0.0 112.954 174.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.406 ' H ' ' C ' ' A' ' 47' ' ' ASN . 25.2 ttt85 -81.22 -38.12 27.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.943 0.402 . . . . 0.0 110.471 -177.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.6 t -129.27 149.73 50.94 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 174.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -77.47 -38.92 48.26 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 71.84 -8.13 1.16 Allowed 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.283 -0.871 . . . . 0.0 112.256 173.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.574 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 24.1 ttm180 -46.18 -60.21 2.44 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 122.932 0.493 . . . . 0.0 111.484 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.7 m 66.36 -68.15 0.14 Allowed 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 177.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -137.55 -53.31 0.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.722 0.296 . . . . 0.0 110.366 -175.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.574 ' O ' ' HG3' ' A' ' 53' ' ' ARG . 66.2 mtt-85 -79.66 168.19 19.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.95 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -87.64 122.88 31.88 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 177.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.747 ' HG2' ' H ' ' A' ' 60' ' ' THR . 0.7 OUTLIER -64.67 -27.32 68.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.386 -176.311 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.537 ' O ' HG22 ' A' ' 60' ' ' THR . 33.1 tp 59.98 31.88 20.86 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 121.171 0.51 . . . . 0.0 110.061 -179.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.747 ' H ' ' HG2' ' A' ' 58' ' ' GLU . 0.6 OUTLIER 61.24 20.13 10.73 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.996 177.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.89 71.72 0.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.033 0.444 . . . . 0.0 111.315 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.481 ' CG ' HD22 ' A' ' 47' ' ' ASN . 13.9 t70 -97.63 -24.5 15.49 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.505 0.669 . . . . 0.0 110.298 178.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.824 ' HB3' ' HB1' ' A' ' 45' ' ' ALA . 5.1 m-20 -46.44 -57.49 4.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.15 -1.386 . . . . 0.0 113.284 -172.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -68.62 -42.65 77.78 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.41 -175.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.6 mtp85 -56.75 -39.77 74.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.636 0.255 . . . . 0.0 111.676 -175.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.88 -36.08 67.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.966 0.412 . . . . 0.0 111.237 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.23 -39.29 78.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.24 -40.2 95.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.738 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.22 -48.59 64.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.833 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.0 -34.08 74.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.114 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.563 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -61.03 -51.39 69.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.883 0.373 . . . . 0.0 110.462 176.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -64.17 -33.03 74.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.489 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -57.95 -43.73 86.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.061 0.458 . . . . 0.0 111.92 174.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -84.63 -12.21 54.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.843 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.72 33.0 31.75 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.81 -0.71 . . . . 0.0 111.441 -176.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.473 HD13 ' HA2' ' A' ' 29' ' ' GLY . 81.4 mt -125.52 -176.57 3.63 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.355 -0.422 . . . . 0.0 110.038 -177.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -136.63 177.45 7.84 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 174.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 42.8 t -85.3 111.07 20.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.432 -178.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.9 m -98.89 -10.28 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.494 -176.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.418 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -177.57 178.7 48.37 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.264 -179.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.6 t -135.48 154.53 35.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.596 ' HB3' ' HB ' ' A' ' 108' ' ' VAL . 54.0 p90 -142.35 140.2 32.02 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.086 0.469 . . . . 0.0 110.624 178.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -145.8 153.94 41.46 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.9 m -102.1 155.69 18.03 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 120.868 0.366 . . . . 0.0 110.689 -170.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.459 ' HB3' ' HB2' ' A' ' 88' ' ' HIS . 19.9 m170 -110.59 89.21 8.66 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.73 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.437 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 17.0 Cg_endo -58.86 120.8 8.89 Favored 'Trans proline' 0 C--O 1.237 0.473 0 C-N-CA 121.947 1.765 . . . . 0.0 111.071 174.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.437 ' HB3' ' O ' ' A' ' 86' ' ' PRO . 27.1 t70 76.41 -38.48 0.33 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.647 0.779 . . . . 0.0 111.863 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.459 ' HB2' ' HB3' ' A' ' 85' ' ' HIS . 29.3 m80 -78.92 154.6 77.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 120.71 0.29 . . . . 0.0 110.575 177.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 88' ' ' HIS . 3.6 Cg_exo -82.18 -174.14 2.0 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.719 2.28 . . . . 0.0 112.04 176.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.1 -165.89 0.14 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.156 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.403 ' HG2' ' HZ2' ' A' ' 123' ' ' TRP . 54.6 mtt85 66.64 144.43 0.09 OUTLIER Pre-proline 0 CA--C 1.532 0.279 0 C-N-CA 123.241 0.616 . . . . 0.0 110.796 -176.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.66 125.65 13.58 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.494 2.129 . . . . 0.0 112.452 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.1 m -84.52 -177.86 6.73 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.935 175.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.33 83.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.734 0.302 . . . . 0.0 111.054 -178.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.8 m -64.02 -38.48 91.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.173 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.07 -42.96 99.47 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.922 0.391 . . . . 0.0 110.363 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.8 tt -68.96 -43.41 75.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.014 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -62.43 -39.1 92.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.23 -177.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -98.3 17.44 18.74 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.717 -177.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.505 ' HB1' HD22 ' A' ' 125' ' ' LEU . . . -85.31 78.93 9.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 109.603 173.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.4 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 4.5 m -83.35 -26.38 30.57 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.315 -0.857 . . . . 0.0 112.177 -172.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -120.32 88.7 42.46 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -169.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 101' ' ' THR . 13.5 Cg_exo -67.97 -178.92 1.86 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.822 2.348 . . . . 0.0 111.978 177.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 91.11 -40.66 2.95 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.686 -177.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.418 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 95.8 m-85 -77.69 152.81 33.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.684 0.278 . . . . 0.0 110.268 176.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.7 m -91.33 123.67 34.94 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 176.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.423 ' CD2' ' HE2' ' A' ' 132' ' ' PHE . 82.4 m-85 -93.07 117.0 29.57 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.185 -179.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.596 ' HB ' ' HB3' ' A' ' 82' ' ' TYR . 97.6 t -103.52 120.71 53.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.193 0.52 . . . . 0.0 110.516 177.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 29.9 mm -110.52 117.77 55.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.496 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.489 ' HA ' ' HA ' ' A' ' 120' ' ' LEU . 6.5 p -112.55 134.22 55.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.425 0.631 . . . . 0.0 111.017 -178.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.777 ' HB2' ' HB3' ' A' ' 118' ' ' GLU . 49.7 m -81.0 118.02 22.11 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.551 177.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 55.9 t -121.12 115.12 45.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 174.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.3 ttt85 -117.86 75.0 0.97 Allowed 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 120.573 -0.451 . . . . 0.0 109.892 -175.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.633 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 19.0 t70 48.69 86.89 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 114.669 -1.15 . . . . 0.0 112.087 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.531 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 82.0 -37.64 2.53 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.702 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -104.7 104.5 46.13 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 121.002 0.429 . . . . 0.0 112.025 -176.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.531 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 3.3 Cg_exo -78.07 127.57 8.55 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 122.928 2.419 . . . . 0.0 111.277 172.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.777 ' HB3' ' HB2' ' A' ' 111' ' ' SER . 31.8 tt0 -73.61 -77.05 0.11 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.022 0.439 . . . . 0.0 110.387 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -154.22 159.72 41.48 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.101 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.571 HD13 ' H ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -111.35 136.92 49.79 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 175.232 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 25.7 p -122.04 138.17 54.54 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.508 -177.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.04 136.97 47.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.922 0.392 . . . . 0.0 110.142 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.403 ' HZ2' ' HG2' ' A' ' 91' ' ' ARG . 77.3 m95 -135.31 145.16 47.21 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.283 -174.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -109.86 127.89 54.99 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.657 174.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.505 HD22 ' HB1' ' A' ' 100' ' ' ALA . 61.6 tp -85.26 130.26 34.64 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.02 135.75 95.31 Favored Pre-proline 0 N--CA 1.449 -0.501 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 174.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -58.04 -22.56 56.09 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.907 2.405 . . . . 0.0 112.636 -176.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -83.09 -4.51 58.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.215 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? 63.87 24.1 13.6 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.532 0.52 . . . . 0.0 110.554 -176.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 20.2 p -72.27 -50.97 23.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.636 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -163.8 -178.02 5.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.323 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.423 ' HE2' ' CD2' ' A' ' 107' ' ' TYR . 72.3 m-85 -106.2 154.19 21.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.169 173.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -123.31 142.4 50.99 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -69.86 137.89 52.08 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.769 -175.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -114.06 149.56 35.29 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.016 175.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -107.26 148.75 28.56 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 121.409 0.623 . . . . 0.0 111.467 -176.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.541 HG21 HD11 ' A' ' 8' ' ' LEU . 45.7 mm -92.4 113.33 27.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.235 174.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 0.5 OUTLIER -130.96 155.48 41.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -178.585 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 54.5 mtm180 -88.73 127.76 55.03 Favored Pre-proline 0 C--N 1.317 -0.835 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.862 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -64.56 173.86 5.02 Favored 'Trans proline' 0 C--O 1.238 0.489 0 C-N-CA 122.945 2.43 . . . . 0.0 112.696 -177.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.92 148.42 59.59 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.854 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.77 47.22 0.92 Allowed 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 123.403 2.736 . . . . 0.0 113.344 -176.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -160.9 -35.62 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.056 176.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . 50.08 74.79 0.75 Allowed Pre-proline 0 C--O 1.233 0.231 0 O-C-N 123.773 0.671 . . . . 0.0 111.437 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -63.91 129.24 24.04 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.141 1.894 . . . . 0.0 112.289 -175.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.423 ' H ' HD23 ' A' ' 146' ' ' LEU . 1.1 pt? -117.34 -170.9 1.94 Allowed 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.614 178.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.406 ' HG2' ' H ' ' A' ' 148' ' ' HIS . 21.0 tt0 -84.12 175.33 9.56 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . 0.406 ' H ' ' HG2' ' A' ' 147' ' ' GLU . 54.4 m80 -84.13 -167.6 1.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.65 0.262 . . . . 0.0 110.407 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -76.28 78.41 3.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.221 0.534 . . . . 0.0 110.155 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -94.33 -4.53 48.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.468 -178.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -71.91 94.18 1.42 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 175.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 70.0 t60 64.66 83.01 0.17 Allowed 'General case' 0 C--O 1.237 0.403 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.665 -175.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 . . . . . 0 C--O 1.245 0.864 0 CA-C-O 118.15 -0.928 . . . . 0.0 109.593 178.031 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.5 ttt . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 120.587 0.232 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.73 ' HB3' ' HG3' ' A' ' 140' ' ' PRO . 13.7 mptt -93.61 137.82 32.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.081 174.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.474 HG22 HG23 ' A' ' 137' ' ' ILE . 13.5 t -158.19 174.01 15.83 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 174.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.7 p -123.74 156.65 64.7 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.957 -177.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -51.58 -33.3 47.69 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.468 2.779 . . . . 0.0 112.483 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.489 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 3.8 m-20 -56.65 -49.55 74.72 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.479 178.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.543 ' O ' HG13 ' A' ' 11' ' ' ILE . 50.9 mm -66.67 -45.41 88.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.462 -177.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.464 HD11 HG21 ' A' ' 137' ' ' ILE . 98.2 mt -59.37 -42.33 91.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.384 -178.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -69.21 -41.35 77.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.543 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 49.2 mt-30 -57.75 -38.35 75.22 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.2 177.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 7' ' ' ILE . 78.9 mt -60.14 -41.26 86.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.767 0.318 . . . . 0.0 110.531 177.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.608 ' HG2' HD11 ' A' ' 120' ' ' LEU . 57.4 mtm180 -65.16 -49.69 68.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.651 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.9 t -66.29 -49.1 78.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.039 -176.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -67.47 -27.84 67.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.253 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.16 -49.52 52.47 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.002 176.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.41 -29.83 67.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.167 0.508 . . . . 0.0 110.445 177.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -60.0 -37.82 80.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.985 175.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.09 -43.75 77.81 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.33 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -58.64 145.67 76.57 Favored Pre-proline 0 N--CA 1.465 0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.206 -177.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -80.38 -3.45 42.03 Favored 'Cis proline' 0 CA--C 1.535 0.542 0 C-N-CA 123.859 -1.309 . . . . 0.0 113.75 4.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -80.95 176.4 9.85 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.56 139.24 32.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.223 0.535 . . . . 0.0 111.586 -174.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.8 -82.08 1.02 Allowed Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.731 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.492 ' O ' ' HA ' ' A' ' 44' ' ' ARG . 26.2 p 47.03 -166.42 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.915 0.886 . . . . 0.0 112.784 178.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 137.71 -152.53 21.71 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.357 -0.925 . . . . 0.0 112.742 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -120.37 166.71 13.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.912 0.387 . . . . 0.0 111.14 -173.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.409 HD13 HG21 ' A' ' 39' ' ' VAL . 64.4 mt -111.29 130.53 55.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.406 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.546 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 60.3 mt -114.47 144.95 42.51 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.556 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . 179.16 -162.37 29.19 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 119.691 -1.242 . . . . 0.0 113.093 179.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.5 p -110.16 158.63 18.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.341 -0.43 . . . . 0.0 110.681 -178.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.1 t -91.68 119.83 39.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 172.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.5 m -89.26 -47.66 7.9 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.586 0.708 . . . . 0.0 111.738 -166.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.45 ' HB2' ' H ' ' A' ' 36' ' ' ASP . 4.9 m-20 -101.22 2.69 40.21 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.184 -174.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.1 t70 61.98 28.48 17.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 122.797 1.284 . . . . 0.0 108.171 -170.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.25 -32.54 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 113.39 -1.732 . . . . 0.0 110.72 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.45 ' H ' ' HB2' ' A' ' 33' ' ' ASP . 43.4 t0 -112.42 153.93 26.59 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 174.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.455 ' HB2' ' HB ' ' A' ' 79' ' ' VAL . 28.3 p30 -109.39 150.88 27.41 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.874 -171.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.556 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 77.3 ttt180 -116.61 137.78 51.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.018 172.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.409 HG21 HD13 ' A' ' 27' ' ' LEU . 60.9 t -98.69 114.54 36.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.47 -10.63 8.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.254 -176.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.546 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -143.04 142.77 31.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.171 179.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.2 mt -108.89 141.55 40.79 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.576 -178.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -118.78 120.0 36.07 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 173.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.492 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 56.4 mtp180 -90.71 137.58 32.25 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 173.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.15 -39.42 63.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 123.237 0.336 . . . . 0.0 111.14 -176.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.4 m -67.89 -4.74 13.8 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -176.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -88.81 90.7 8.52 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.881 0.372 . . . . 0.0 110.663 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.578 ' HE ' ' HB3' ' A' ' 63' ' ' ASP . 4.7 mpt_? -104.55 164.0 12.06 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.251 -0.432 . . . . 0.0 109.871 175.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 73.43 110.27 0.07 Allowed 'General case' 0 N--CA 1.465 0.295 0 O-C-N 124.015 0.822 . . . . 0.0 111.244 177.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.0 t -137.87 149.36 46.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.588 178.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -84.72 86.64 7.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.491 0.662 . . . . 0.0 110.369 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.644 HE21 ' HA ' ' A' ' 55' ' ' ARG . 26.7 tt0 -79.63 119.68 22.92 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.695 -1.139 . . . . 0.0 110.038 179.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -59.02 5.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.332 0.587 . . . . 0.0 110.745 -176.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.1 m -90.78 102.93 15.68 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.936 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.644 ' HA ' HE21 ' A' ' 52' ' ' GLN . 19.7 mtp180 -74.36 79.74 1.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.158 0.504 . . . . 0.0 110.909 -177.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.428 ' NE ' ' HA ' ' A' ' 56' ' ' ARG . 2.6 mmp_? -77.78 -45.65 23.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.266 178.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -128.85 153.77 47.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.68 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -89.4 13.29 14.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 123.327 0.392 . . . . 0.0 111.892 -171.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -93.96 101.41 13.47 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.949 0.404 . . . . 0.0 111.144 -177.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.7 p -115.33 -25.97 7.78 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.027 175.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.14 -20.63 59.31 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.049 175.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -78.01 113.48 15.96 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 173.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.578 ' HB3' ' HE ' ' A' ' 48' ' ' ARG . 2.1 p-10 -75.31 -18.57 60.0 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.876 -171.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -69.19 -48.07 63.12 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 172.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -36.75 84.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.882 174.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.48 ' HB3' ' HA ' ' A' ' 63' ' ' ASP . . . -68.82 -33.65 74.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.056 178.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.91 -41.52 78.07 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 120.944 0.402 . . . . 0.0 110.05 178.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -65.83 -43.32 88.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.753 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.523 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -60.99 -53.89 51.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.855 178.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.35 -36.03 77.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.938 0.399 . . . . 0.0 111.094 -178.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.526 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -63.8 -51.31 65.33 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.798 175.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -59.34 -41.88 90.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.419 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 75.3 mm-40 -55.87 -40.1 72.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.843 176.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -87.37 -7.15 58.07 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.15 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.08 27.69 36.47 Favored Glycine 0 N--CA 1.454 -0.125 0 C-N-CA 120.577 -0.821 . . . . 0.0 111.951 -178.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.3 mt -120.06 -173.16 2.49 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -152.5 177.39 10.68 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 169.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.0 t -78.97 110.5 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.901 0.381 . . . . 0.0 110.185 -177.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.455 ' HB ' ' HB2' ' A' ' 37' ' ' ASN . 27.4 m -99.3 -24.41 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.803 -175.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.454 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -165.38 -171.37 31.51 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 119.924 -1.132 . . . . 0.0 113.213 -177.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.8 t -137.58 159.65 34.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -139.22 136.34 34.88 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.234 0.54 . . . . 0.0 110.361 176.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -128.79 138.34 52.02 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.354 -176.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.9 m -105.24 155.86 18.66 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.909 0.385 . . . . 0.0 110.685 -174.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.455 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 60.1 m80 -131.97 143.08 47.53 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 175.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.614 ' O ' ' HA ' ' A' ' 113' ' ' ARG . 6.3 Cg_exo -80.13 -15.33 11.66 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.001 2.467 . . . . 0.0 112.971 -177.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -172.7 102.84 0.14 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.192 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.425 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 0.1 OUTLIER -176.62 149.72 0.91 Allowed Pre-proline 0 N--CA 1.466 0.358 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 177.507 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 88' ' ' HIS . 6.1 Cg_exo -75.59 62.14 6.26 Favored 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 122.552 2.168 . . . . 0.0 113.111 -178.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 46.72 30.25 1.13 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.406 1.082 . . . . 0.0 113.072 176.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.46 ' HB2' ' HD2' ' A' ' 92' ' ' PRO . 14.0 ptp180 -123.3 159.02 56.56 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.46 ' HD2' ' HB2' ' A' ' 91' ' ' ARG . 57.6 Cg_endo -70.67 155.06 63.69 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.643 2.229 . . . . 0.0 112.381 178.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.8 m -109.24 178.5 4.43 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 176.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.76 -43.73 72.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.009 0.433 . . . . 0.0 111.014 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 41.2 m -62.17 -38.64 89.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.666 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -62.44 -40.92 98.14 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.851 0.357 . . . . 0.0 110.336 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -68.5 -44.23 75.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.928 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -63.73 -33.03 74.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.081 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -88.88 -2.43 58.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.393 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.15 78.79 6.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.405 0.622 . . . . 0.0 110.705 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.3 m -110.01 0.62 18.56 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.462 0.649 . . . . 0.0 110.571 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -119.19 86.84 33.52 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.195 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -74.13 156.7 46.9 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.235 1.957 . . . . 0.0 111.834 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 120.98 -25.71 7.03 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.197 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.454 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 94.2 m-85 -100.6 154.56 18.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.874 0.369 . . . . 0.0 110.897 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 21.9 m -91.32 135.94 33.45 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 175.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -105.19 111.53 24.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.682 0.277 . . . . 0.0 110.753 -176.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 84.7 t -96.32 126.24 49.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.226 0.536 . . . . 0.0 110.402 176.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.4 mt -114.02 125.9 71.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.705 -178.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.609 HG23 ' HG ' ' A' ' 120' ' ' LEU . 5.6 p -116.11 128.82 73.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.648 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.6 m -88.49 107.65 18.99 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.926 176.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 86' ' ' PRO . 47.3 t -120.77 113.8 41.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 172.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.614 ' HA ' ' O ' ' A' ' 86' ' ' PRO . 41.9 mtt180 -97.23 95.98 8.1 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.641 -173.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 22.3 t70 60.85 21.84 11.96 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.965 176.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 121.11 -11.64 9.9 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.453 -0.879 . . . . 0.0 112.738 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -102.69 109.79 61.74 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.88 0.34 . . . . 0.0 111.057 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -73.92 122.13 7.47 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.53 2.153 . . . . 0.0 112.168 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -103.51 -75.9 0.6 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.557 -175.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -126.91 142.59 51.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.21 0.528 . . . . 0.0 111.63 -173.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.609 ' HG ' HG23 ' A' ' 110' ' ' VAL . 6.6 mp -119.7 138.35 53.35 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.402 176.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.691 HG21 HH11 ' A' ' 134' ' ' ARG . 3.9 m -150.12 156.65 42.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.856 0.36 . . . . 0.0 110.268 177.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -112.15 141.8 45.4 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.802 177.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -126.61 138.66 53.47 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.342 -176.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.33 130.08 52.19 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.331 176.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 47.5 tp -80.06 135.33 36.32 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.433 ' HB3' ' H ' ' A' ' 131' ' ' GLU . . . -55.41 142.52 59.81 Favored Pre-proline 0 C--N 1.328 -0.356 0 O-C-N 123.502 0.501 . . . . 0.0 109.903 177.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -27.98 -54.48 0.13 Allowed 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 124.963 3.775 . . . . 0.0 115.034 -172.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -125.82 69.78 1.19 Allowed 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.262 -0.575 . . . . 0.0 111.954 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 55.1 mtm180 58.18 32.08 21.57 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.858 166.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 15.5 m -84.81 -51.17 6.96 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.576 -176.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.433 ' H ' ' HB3' ' A' ' 126' ' ' ALA . 10.6 pt-20 -166.21 -178.61 4.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.43 -176.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -108.05 144.58 35.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.384 178.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -124.84 146.04 49.48 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.552 175.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.691 HH11 HG21 ' A' ' 121' ' ' THR . 10.7 tpp180 -69.59 137.04 51.99 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.114 -179.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -131.67 149.12 52.6 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.926 0.393 . . . . 0.0 110.021 178.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -93.42 157.5 16.19 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.506 -176.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.474 HG23 HG22 ' A' ' 3' ' ' THR . 2.4 mp -93.12 113.8 28.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.728 177.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.481 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 11.6 m -110.29 151.42 12.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.237 0.541 . . . . 0.0 110.714 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.51 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 86.1 mtt180 -106.12 137.81 19.49 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.625 -174.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.73 ' HG3' ' HB3' ' A' ' 2' ' ' LYS . 12.0 Cg_exo -69.77 135.46 30.48 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.882 2.388 . . . . 0.0 112.156 179.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -82.82 120.42 76.28 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.344 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -81.02 26.55 0.6 Allowed 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.681 2.254 . . . . 0.0 111.866 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -114.33 -0.32 13.88 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.544 -1.207 . . . . 0.0 110.591 -177.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -78.98 132.53 63.52 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.165 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -63.5 135.75 51.11 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.219 1.946 . . . . 0.0 111.86 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.467 ' H ' HD23 ' A' ' 146' ' ' LEU . 0.7 OUTLIER -89.74 141.27 28.77 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.269 -178.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -74.88 -178.43 3.73 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.866 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -95.92 88.4 4.9 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 172.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -80.69 146.98 30.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.239 -177.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.43 ' CE1' ' HB2' ' A' ' 152' ' ' HIS . 21.3 t-80 -107.93 141.53 39.41 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.708 0.289 . . . . 0.0 111.207 -172.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.41 ' C ' ' H ' ' A' ' 153' ' ' HIS . 2.2 m170 -104.19 -85.23 0.47 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.177 174.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.43 ' HB2' ' CE1' ' A' ' 150' ' ' HIS . 50.0 t-80 70.87 -39.52 0.45 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.494 0.717 . . . . 0.0 111.022 -173.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . 0.41 ' H ' ' C ' ' A' ' 151' ' ' HIS . 46.7 p-80 . . . . . 0 C--O 1.242 0.679 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 174.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ttt . . . . . 0 N--CA 1.477 0.903 0 CA-C-O 120.71 0.291 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.488 ' HB3' ' HG3' ' A' ' 140' ' ' PRO . 12.4 mptt -111.04 135.73 51.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.132 173.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.1 t -157.79 164.34 37.13 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 175.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.0 p -99.07 152.42 37.78 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-O 120.862 0.363 . . . . 0.0 111.24 -176.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -57.15 -33.57 96.12 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.385 2.723 . . . . 0.0 113.192 -177.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.404 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 4.1 p-10 -65.38 -33.15 75.28 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.571 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.583 ' O ' HG13 ' A' ' 11' ' ' ILE . 47.1 mm -70.11 -45.67 75.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 177.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.2 mt -58.85 -41.21 86.46 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.754 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -61.3 -47.17 87.19 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.419 175.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 27.7 mt-30 -61.66 -30.63 70.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.58 177.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.583 HG13 ' O ' ' A' ' 7' ' ' ILE . 75.0 mt -65.41 -49.91 75.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 C-N-CA 121.213 -0.195 . . . . 0.0 111.083 178.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -64.78 -38.36 90.74 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 120.83 0.347 . . . . 0.0 110.952 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.6 t -66.16 -42.98 92.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.332 176.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -56.09 -34.59 66.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.279 177.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.06 -50.1 59.17 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.66 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.56 -35.9 63.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.734 0.302 . . . . 0.0 111.495 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -68.96 -35.26 76.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.323 -175.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.97 -29.02 60.79 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.908 -178.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -66.47 158.47 78.3 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.11 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -72.74 -3.46 13.28 Favored 'Cis proline' 0 C--N 1.351 0.683 0 C-N-CA 124.541 -1.025 . . . . 0.0 113.987 5.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -75.16 169.9 17.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.892 0.377 . . . . 0.0 111.015 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -91.09 128.68 37.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.097 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -126.21 54.14 0.77 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.417 -0.897 . . . . 0.0 113.332 -177.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.6 p -84.05 -178.14 6.88 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 175.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 165.11 -162.93 36.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.343 -0.932 . . . . 0.0 112.866 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.733 ' HB2' ' HE1' ' A' ' 43' ' ' HIS . 10.6 m-85 -116.75 161.2 19.62 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 -178.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.45 HD22 HG11 ' A' ' 39' ' ' VAL . 80.6 mt -97.31 133.77 41.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.845 -177.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.537 HD22 ' HB2' ' A' ' 71' ' ' ALA . 77.7 mt -112.39 136.09 52.29 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.06 -152.37 9.82 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.043 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.91 158.76 43.62 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 120.634 0.254 . . . . 0.0 111.114 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -94.79 131.27 42.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.909 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 47.1 p -86.23 164.07 17.39 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.566 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.592 ' OD2' ' HB3' ' A' ' 146' ' ' LEU . 76.1 m-20 -65.01 -13.9 59.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.658 0.266 . . . . 0.0 111.652 -177.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -78.0 -12.41 59.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.921 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.1 18.3 56.05 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.331 -174.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -117.21 161.17 19.9 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.6 p30 -105.59 147.63 28.2 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.823 0.821 . . . . 0.0 112.364 -172.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -116.2 110.08 18.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.948 -1.023 . . . . 0.0 109.58 174.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.45 HG11 HD22 ' A' ' 27' ' ' LEU . 57.9 t -83.85 118.42 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.08 -20.27 7.49 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -174.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.516 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -138.92 143.61 38.73 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.203 0.525 . . . . 0.0 111.91 -176.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.4 mt -116.44 155.7 28.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.791 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.733 ' HE1' ' HB2' ' A' ' 26' ' ' PHE . 32.7 p-80 -149.09 159.88 43.84 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.755 0.312 . . . . 0.0 110.322 173.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.2 mtm-85 -87.66 137.85 31.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.742 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.81 112.53 0.79 Allowed 'General case' 0 C--O 1.233 0.2 0 O-C-N 123.408 0.442 . . . . 0.0 110.497 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.1 m -103.67 129.44 50.99 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.537 -174.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 67.44 96.61 0.06 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.596 -1.184 . . . . 0.0 112.154 175.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 68.7 mtm180 -129.46 -22.01 3.1 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.853 174.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -109.74 104.53 13.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.465 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.5 m -68.29 111.56 4.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.834 -176.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -76.19 127.09 32.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.222 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.471 ' CD ' ' H ' ' A' ' 52' ' ' GLN . 0.5 OUTLIER -65.98 104.57 1.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.784 -173.296 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 46.04 -90.16 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 114.742 -1.117 . . . . 0.0 112.357 -176.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.9 t 43.7 33.11 0.64 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.195 0.998 . . . . 0.0 112.918 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.2 ttt85 72.26 -1.76 2.81 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.676 0.79 . . . . 0.0 111.469 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -80.78 -57.51 3.52 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 170.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.4 t80 56.85 31.63 19.95 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.728 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.429 ' H ' ' HG2' ' A' ' 58' ' ' GLU . 5.2 pt-20 -74.26 83.39 1.88 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.689 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.662 HD12 ' H ' ' A' ' 60' ' ' THR . 0.5 OUTLIER -63.8 -39.96 95.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.353 179.153 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.662 ' H ' HD12 ' A' ' 59' ' ' LEU . 0.5 OUTLIER -159.81 110.65 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.925 0.393 . . . . 0.0 110.272 175.433 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.458 ' O ' ' HD2' ' A' ' 65' ' ' ARG . . . -103.38 -60.91 1.49 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.08 178.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 70.34 129.02 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 O-C-N 124.074 0.859 . . . . 0.0 111.922 177.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -56.21 -38.48 71.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.788 -178.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -55.39 -42.73 74.4 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.287 -177.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.458 ' HD2' ' O ' ' A' ' 61' ' ' ALA . 62.2 mtt85 -66.98 -38.54 86.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.874 0.369 . . . . 0.0 111.541 -178.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.57 -41.7 75.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.297 176.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.64 -39.91 95.36 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.509 176.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -58.4 -44.86 89.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.753 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.06 -50.97 60.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.096 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.57 -35.44 80.49 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.339 -177.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.537 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -62.86 -51.93 65.09 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 177.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -40.14 82.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.571 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -56.46 -43.15 79.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.62 175.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -84.64 -2.02 56.88 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.2 -176.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.67 25.88 61.97 Favored Glycine 0 N--CA 1.454 -0.124 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.74 -178.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.4 mt -124.64 -178.67 4.21 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -144.23 170.18 16.47 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 173.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.6 t -80.3 110.59 16.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.2 m -106.22 -5.6 10.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.241 -0.436 . . . . 0.0 112.075 -174.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.496 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -178.18 -173.52 43.65 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.023 -1.084 . . . . 0.0 113.2 -179.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.443 ' HA ' ' HA ' ' A' ' 26' ' ' PHE . 3.4 t -137.55 158.64 34.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 -179.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -141.16 135.9 31.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.257 0.551 . . . . 0.0 110.937 176.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -148.18 153.0 38.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.81 177.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.416 ' HB3' HG13 ' A' ' 110' ' ' VAL . 9.6 p -103.96 156.33 17.94 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.995 0.426 . . . . 0.0 110.962 -174.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -120.43 88.56 42.67 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.473 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -76.99 -6.77 16.97 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.088 1.858 . . . . 0.0 111.43 173.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -89.86 -38.31 13.82 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.605 -1.179 . . . . 0.0 110.877 -177.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.448 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 68.8 m80 -139.81 143.57 35.29 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.863 -179.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 88' ' ' HIS . 18.8 Cg_exo -67.73 97.62 0.47 Allowed 'Trans proline' 0 C--O 1.238 0.477 0 C-N-CA 122.565 2.177 . . . . 0.0 112.13 178.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 65.57 -175.55 0.18 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.719 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.52 155.12 0.06 OUTLIER Pre-proline 0 N--CA 1.479 0.986 0 C-N-CA 125.195 1.398 . . . . 0.0 113.744 178.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -84.66 151.85 11.59 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.544 2.163 . . . . 0.0 113.057 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.5 m -104.05 -175.44 2.8 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.701 176.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.669 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -64.43 -49.25 72.24 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -174.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.418 ' HA ' ' OE1' ' A' ' 98' ' ' GLU . 26.4 m -73.84 -32.1 63.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.155 0.502 . . . . 0.0 110.338 -178.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.08 -38.02 81.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.729 175.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.3 tt -70.09 -39.75 75.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.456 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.669 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 49.2 mt-10 -60.81 -39.02 87.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.433 -176.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -80.04 -11.51 59.77 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.131 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.15 99.49 5.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.248 0.547 . . . . 0.0 110.044 176.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.478 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 3.5 m -131.08 29.09 4.72 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.602 0.715 . . . . 0.0 110.076 -177.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.432 ' HB3' ' CD1' ' A' ' 105' ' ' PHE . 65.4 m-85 -114.57 86.15 12.21 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.306 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.478 ' HD3' ' O ' ' A' ' 101' ' ' THR . 16.9 Cg_exo -67.84 125.31 12.99 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.665 2.244 . . . . 0.0 112.014 -179.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.46 -10.15 49.72 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.682 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.496 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 13.2 m-85 -96.46 138.57 33.85 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 86.9 m -92.62 130.86 38.13 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.486 ' CD2' ' HE1' ' A' ' 132' ' ' PHE . 98.8 m-85 -100.43 113.62 26.53 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.01 0.433 . . . . 0.0 110.432 -177.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 90.5 t -95.33 119.61 43.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.45 0.643 . . . . 0.0 109.324 175.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 78.9 mt -110.2 118.43 57.0 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.124 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.771 -178.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.416 HG13 ' HB3' ' A' ' 84' ' ' SER . 5.0 p -103.66 129.31 55.89 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.323 178.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.515 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 13.2 t -81.54 105.24 12.55 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 60.3 t -122.68 114.2 41.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 176.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -94.67 73.85 3.68 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 121.589 0.709 . . . . 0.0 109.7 -175.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.7 t70 52.7 62.78 2.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 113.825 -1.534 . . . . 0.0 110.944 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.423 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 105.64 -27.0 19.54 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.458 177.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.4 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . . . -93.57 109.93 43.94 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 111.525 0.194 . . . . 0.0 111.525 -177.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 4.2 Cg_exo -74.56 111.35 3.29 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.997 2.465 . . . . 0.0 111.576 177.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.515 ' HB3' ' HB3' ' A' ' 111' ' ' SER . 45.0 tt0 -91.03 -71.0 0.65 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 -176.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -152.7 158.82 42.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.114 0.483 . . . . 0.0 111.814 -176.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 39.6 mt -102.91 138.89 39.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.392 176.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.7 p -139.66 131.0 26.78 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 176.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.54 135.36 50.66 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.861 0.363 . . . . 0.0 110.269 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -130.21 136.98 49.82 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.023 -173.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.79 135.56 45.94 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.696 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 60.4 tp -89.18 138.77 31.13 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.151 -177.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.75 138.74 97.0 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 174.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.98 -24.45 76.47 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.907 2.404 . . . . 0.0 112.634 -176.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -84.66 -8.28 58.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.75 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.515 ' NH2' ' HA ' ' A' ' 98' ' ' GLU . 2.0 tmt_? 62.33 81.69 0.19 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.467 -176.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 24.8 p -137.25 -57.51 0.71 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.541 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -140.52 177.89 7.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.334 0.588 . . . . 0.0 110.677 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.486 ' HE1' ' CD2' ' A' ' 107' ' ' TYR . 89.0 m-85 -112.27 145.5 39.86 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.351 175.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -124.1 136.52 54.29 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.069 0.462 . . . . 0.0 110.55 175.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 134' ' ' ARG . 9.3 tpt180 -57.59 138.47 55.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.12 -177.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -124.7 161.8 25.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.693 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -102.04 148.1 25.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.088 0.471 . . . . 0.0 111.56 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 49.4 mm -97.82 115.07 36.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.275 176.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 1.4 t -120.68 155.01 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.201 0.524 . . . . 0.0 110.503 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.426 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 56.8 mtm180 -96.88 137.87 21.34 Favored Pre-proline 0 C--N 1.316 -0.884 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.786 178.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.488 ' HG3' ' HB3' ' A' ' 2' ' ' LYS . 16.5 Cg_exo -66.76 109.28 1.62 Allowed 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.817 2.344 . . . . 0.0 113.007 -177.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -85.54 102.16 2.32 Favored Pre-proline 0 C--N 1.33 -0.275 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 172.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . 0.452 ' HD3' ' O ' ' A' ' 140' ' ' PRO . 93.3 Cg_endo -83.47 40.79 0.97 Allowed 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.877 2.385 . . . . 0.0 113.321 -169.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -120.41 -16.32 8.41 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.91 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.435 ' HA ' ' HD3' ' A' ' 145' ' ' PRO . . . -74.72 126.63 88.3 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.435 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 144' ' ' ALA . 21.5 Cg_exo -64.1 136.99 54.77 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.563 2.175 . . . . 0.0 112.002 179.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.592 ' HB3' ' OD2' ' A' ' 33' ' ' ASP . 80.7 mt -91.36 -164.01 1.12 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.2 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.78 142.81 27.55 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.914 0.387 . . . . 0.0 110.725 -178.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -90.44 7.44 38.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.327 -170.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -64.08 150.08 46.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.866 0.365 . . . . 0.0 111.006 176.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -101.54 123.97 46.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.178 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.415 ' O ' ' HB2' ' A' ' 152' ' ' HIS . 31.9 m80 -81.84 153.59 26.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.668 -175.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' ' 151' ' ' HIS . 9.2 t-80 173.98 -31.78 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.57 177.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 . . . . . 0 C--O 1.251 1.163 0 CA-C-O 118.039 -0.981 . . . . 0.0 109.961 174.187 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ttt . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.739 0.305 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.515 ' HD2' HG23 ' A' ' 138' ' ' VAL . 0.1 OUTLIER -107.35 137.21 45.82 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 178.892 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.9 t -153.86 173.04 16.44 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.507 -176.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.455 ' HB ' ' HD2' ' A' ' 5' ' ' PRO . 40.0 p -120.04 163.8 26.05 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.918 -177.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.455 ' HD2' ' HB ' ' A' ' 4' ' ' THR . 32.6 Cg_exo -56.44 -34.53 94.86 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.123 2.549 . . . . 0.0 111.81 177.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -54.03 -46.1 71.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.971 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.465 ' O ' HG13 ' A' ' 11' ' ' ILE . 48.6 mm -75.65 -42.54 41.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.648 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.3 mt -56.39 -43.21 79.07 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.548 -178.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.431 ' O ' HG23 ' A' ' 13' ' ' VAL . 9.5 t70 -63.29 -45.37 91.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.734 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -60.74 -41.94 96.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.533 177.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 7' ' ' ILE . 83.6 mt -59.42 -50.08 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.134 0 CA-C-N 116.735 -0.211 . . . . 0.0 111.219 -179.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -66.11 -33.08 74.97 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.258 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 9' ' ' ASP . 73.5 t -69.05 -47.27 76.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.913 0.387 . . . . 0.0 110.356 176.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -65.74 -27.66 68.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.045 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.01 -45.04 96.93 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.991 173.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.9 -33.48 66.04 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.281 0.562 . . . . 0.0 110.619 177.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -61.7 -36.36 80.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.085 175.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.24 26.95 1.3 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.744 -1.117 . . . . 0.0 111.82 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.576 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -103.69 147.74 34.71 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 176.511 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.576 ' HA ' ' CG ' ' A' ' 19' ' ' TYR . 11.5 Cg_exo -71.09 -20.8 11.97 Favored 'Cis proline' 0 C--N 1.351 0.671 0 C-N-CA 123.984 -1.257 . . . . 0.0 113.404 2.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -167.79 175.02 7.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.553 0.216 . . . . 0.0 111.036 176.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 70.05 129.67 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 O-C-N 124.283 0.99 . . . . 0.0 111.09 -175.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.5 0.94 2.26 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -175.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.3 m -65.9 150.85 47.94 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.91 -164.53 14.5 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.941 -177.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -107.89 152.56 24.25 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.972 0.415 . . . . 0.0 110.989 -174.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.0 mt -94.35 126.75 39.8 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.678 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.5 mt -104.58 131.49 51.93 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.144 0.497 . . . . 0.0 110.227 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . -177.25 -159.41 22.36 Favored Glycine 0 N--CA 1.441 -1.008 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.84 150.55 48.36 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.987 0.422 . . . . 0.0 111.584 179.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.689 HG12 ' H ' ' A' ' 33' ' ' ASP . 59.7 t -89.73 134.2 29.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 174.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 33' ' ' ASP . 30.2 p -87.35 3.08 48.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.972 0.415 . . . . 0.0 111.954 -173.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.689 ' H ' HG12 ' A' ' 31' ' ' VAL . 38.1 m-20 73.68 -11.54 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 123.941 0.896 . . . . 0.0 111.942 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -69.74 -22.07 63.4 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.435 0.635 . . . . 0.0 109.48 174.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.56 -14.47 8.14 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.97 -176.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -97.86 167.93 10.62 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 120.876 0.37 . . . . 0.0 110.029 -178.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.527 HD22 ' HB ' ' A' ' 79' ' ' VAL . 20.3 p-10 -132.53 128.9 38.29 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.177 -177.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.403 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 20.4 ptt180 -105.76 143.39 33.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.271 0.557 . . . . 0.0 110.099 -178.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.6 t -101.98 123.32 55.11 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.985 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.52 -30.22 7.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.538 -176.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -148.04 169.59 19.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.991 0.424 . . . . 0.0 110.835 -178.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.6 mt -121.16 147.43 45.59 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.356 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -118.12 122.09 42.19 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.001 0.429 . . . . 0.0 109.997 174.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.1 mtt180 -96.12 137.63 34.91 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.276 -178.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.22 69.26 2.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.28 0.562 . . . . 0.0 110.436 177.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' A' ' 47' ' ' ASN . 13.6 t -165.3 142.45 5.79 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.856 178.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 46' ' ' THR . 63.0 t30 174.63 117.07 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.093 -178.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -86.24 -51.06 6.51 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.094 0.473 . . . . 0.0 109.757 -176.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 46.9 mtt85 -156.59 156.53 33.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.895 177.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.4 t -59.67 -59.23 5.77 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 123.453 0.471 . . . . 0.0 110.878 -179.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -177.12 -76.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -177.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -161.13 70.49 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.275 171.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.86 92.94 4.38 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.033 174.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.9 m -67.42 109.49 3.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.1 -177.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 1.0 ' HD2' ' HB3' ' A' ' 58' ' ' GLU . 11.9 ptp85 -138.31 168.58 19.46 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.604 -178.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.5 mtp180 -96.31 -28.23 14.59 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 177.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -119.37 103.53 9.55 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.839 -0.345 . . . . 0.0 111.799 -171.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 1.0 ' HB3' ' HD2' ' A' ' 55' ' ' ARG . 11.7 pt-20 -148.26 125.96 11.83 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.299 0.571 . . . . 0.0 110.159 171.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 97.8 mt -102.08 -38.25 7.81 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.164 177.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.5 m 58.61 33.22 22.92 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 122.024 0.916 . . . . 0.0 109.862 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -99.48 145.14 27.78 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.346 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.1 t70 74.76 117.27 0.06 Allowed 'General case' 0 N--CA 1.467 0.395 0 O-C-N 124.339 1.024 . . . . 0.0 110.7 -177.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -79.51 -22.58 43.77 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.433 -175.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -66.61 -44.88 80.92 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.416 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -59.74 -36.87 77.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.275 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.24 -36.92 74.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.638 177.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.92 -40.7 87.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.094 0.473 . . . . 0.0 109.918 176.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -58.6 -46.24 87.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.06 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.55 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -59.56 -53.67 55.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.941 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.81 -33.43 75.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.96 0.41 . . . . 0.0 110.82 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.02 -49.47 72.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.866 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 3.5 pt20 -68.49 -32.07 71.79 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.51 -179.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 48.6 mt-10 -61.64 -43.82 98.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.181 0.515 . . . . 0.0 111.18 175.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -83.13 -26.3 31.11 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.06 -177.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.57 33.23 7.23 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.367 -176.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.2 mt -121.47 174.65 6.63 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -132.79 173.83 10.96 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.2 t -84.6 102.65 10.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -178.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.527 ' HB ' HD22 ' A' ' 37' ' ' ASN . 29.9 m -87.51 -9.82 10.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.624 -176.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.428 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . 168.19 -169.06 41.25 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.178 -1.01 . . . . 0.0 112.924 179.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.9 t -136.32 151.38 28.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -178.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -123.66 143.38 50.29 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.581 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -133.22 149.68 51.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.918 -175.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.2 m -105.64 128.81 53.85 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.246 178.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -110.54 150.49 41.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.87 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.83 -162.82 0.05 OUTLIER 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 123.509 2.806 . . . . 0.0 112.843 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -73.34 49.31 0.27 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.726 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 11.6 m80 -147.58 165.73 17.94 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.016 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -45.49 147.19 2.85 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 123.48 2.787 . . . . 0.0 114.174 -176.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.14 14.27 11.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.698 -176.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -77.58 147.82 75.67 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 175.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -59.87 127.52 23.7 Favored 'Trans proline' 0 N--CA 1.463 -0.266 0 C-N-CA 122.839 2.359 . . . . 0.0 112.508 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.8 t -82.24 -173.16 4.38 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 175.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.75 -42.56 89.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.756 0.313 . . . . 0.0 110.549 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.6 m -69.63 -41.9 75.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.189 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.04 -41.54 88.09 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 176.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.67 -45.74 88.76 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.992 177.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.22 -30.5 69.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.584 -0.734 . . . . 0.0 112.02 -176.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -82.7 -16.2 49.02 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.917 0.339 . . . . 0.0 111.917 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.453 ' HB1' HD22 ' A' ' 125' ' ' LEU . . . -77.13 78.4 3.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.239 0.542 . . . . 0.0 110.691 178.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.3 m -105.69 -17.33 14.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.965 -179.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -109.41 88.79 6.46 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.183 0.516 . . . . 0.0 111.768 -174.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -71.96 162.23 42.47 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.597 2.198 . . . . 0.0 112.091 -177.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 106.77 -13.19 42.07 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.066 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.428 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 97.0 m-85 -109.55 148.19 31.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.858 0.361 . . . . 0.0 110.512 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.1 m -92.25 125.15 36.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.012 177.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -97.27 108.85 21.66 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.445 ' HA ' ' HA ' ' A' ' 122' ' ' ALA . 60.0 t -96.83 114.98 35.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 177.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.5 mt -113.71 128.69 70.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.999 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.3 p -109.61 135.87 47.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.054 0.454 . . . . 0.0 111.153 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.8 m -90.49 109.84 20.97 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.531 175.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 31.2 t -105.78 117.05 50.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.869 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 113' ' ' ARG . 20.2 mtp180 -98.02 91.02 5.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.191 -176.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.536 ' HA ' ' HE2' ' A' ' 19' ' ' TYR . 38.4 t70 70.7 -12.54 0.54 Allowed 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.865 177.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.416 ' H ' ' C ' ' A' ' 113' ' ' ARG . . . 151.06 -20.56 0.97 Allowed Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 110.374 -1.09 . . . . 0.0 110.374 -177.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -96.91 108.99 46.8 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.342 -0.429 . . . . 0.0 110.787 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -71.26 117.01 4.93 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.655 2.237 . . . . 0.0 111.344 177.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.405 ' OE1' ' HD2' ' A' ' 113' ' ' ARG . 88.5 tt0 -75.37 -64.15 1.13 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.008 0.432 . . . . 0.0 109.963 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -149.94 156.56 41.95 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.344 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.553 HD13 ' H ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -119.5 139.94 51.29 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 175.391 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 22.5 p -124.72 145.72 49.54 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.87 -177.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.445 ' HA ' ' HA ' ' A' ' 108' ' ' VAL . . . -109.06 148.49 30.73 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.514 ' HB3' ' HD2' ' A' ' 132' ' ' PHE . 85.6 m95 -136.35 134.9 38.36 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.319 -174.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -105.22 126.69 52.37 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.182 174.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.453 HD22 ' HB1' ' A' ' 100' ' ' ALA . 57.1 tp -81.53 133.11 35.34 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.022 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.57 135.97 94.3 Favored Pre-proline 0 N--CA 1.45 -0.448 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 174.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -51.48 -33.59 47.98 Favored 'Trans proline' 0 N--CA 1.474 0.325 0 C-N-CA 123.148 2.565 . . . . 0.0 113.152 -174.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -84.68 6.61 23.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.538 -176.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? 64.05 19.11 11.61 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.496 0.498 . . . . 0.0 110.437 -176.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.4 p -72.59 -49.97 28.66 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.28 -173.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -154.08 179.85 8.54 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.091 0.472 . . . . 0.0 111.055 -175.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.514 ' HD2' ' HB3' ' A' ' 123' ' ' TRP . 11.6 m-85 -108.37 147.29 31.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.611 175.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -124.55 140.05 53.3 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 173.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -82.1 144.26 30.91 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 121.475 0.655 . . . . 0.0 112.054 -172.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -124.68 153.98 41.49 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.692 -1.14 . . . . 0.0 108.433 175.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -122.75 179.43 4.63 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 -177.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 49.6 mm -93.5 114.06 29.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.085 0.469 . . . . 0.0 110.061 -178.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.515 HG23 ' HD2' ' A' ' 2' ' ' LYS . 0.2 OUTLIER -125.47 142.5 42.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.33 -179.043 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 57.5 mtp85 -79.56 148.23 69.29 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.2 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.435 ' HG3' ' HB3' ' A' ' 2' ' ' LYS . 4.9 Cg_exo -74.17 94.17 0.9 Allowed 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 122.296 1.997 . . . . 0.0 110.523 169.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -123.95 114.37 28.09 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.277 -177.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -86.09 30.92 0.48 Allowed 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 123.033 2.489 . . . . 0.0 113.358 -174.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -112.89 -5.56 13.84 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.44 177.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -72.85 124.2 90.45 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.955 175.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -63.78 133.12 37.68 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.415 2.077 . . . . 0.0 112.341 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.56 144.91 45.87 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.779 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.48 146.08 31.56 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.478 -177.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.01 85.23 2.38 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.736 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -63.45 117.61 6.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.853 -177.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -114.73 107.35 15.34 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.462 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -122.13 43.07 2.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.691 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -70.03 -13.38 62.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.599 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.24 -0.886 . . . . 0.0 109.402 173.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ttt . . . . . 0 N--CA 1.479 1.0 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.534 ' HA ' ' O ' ' A' ' 138' ' ' VAL . 4.5 mptp? -106.26 117.88 35.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.723 0.297 . . . . 0.0 110.918 177.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.8 t -161.03 173.83 14.65 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 174.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.0 p -102.37 148.08 34.92 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.621 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.03 -29.09 63.29 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.499 2.799 . . . . 0.0 112.85 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -55.27 -43.95 75.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.864 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.517 ' O ' HG13 ' A' ' 11' ' ' ILE . 49.5 mm -67.91 -42.0 85.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.422 179.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.575 HD21 HG12 ' A' ' 137' ' ' ILE . 92.7 mt -57.46 -41.71 81.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.772 178.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.681 ' HA ' HH11 ' A' ' 12' ' ' ARG . 15.5 t70 -64.11 -44.43 92.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.099 179.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -61.78 -31.17 71.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.88 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 7' ' ' ILE . 75.9 mt -62.46 -46.89 95.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.133 0.492 . . . . 0.0 109.948 175.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.681 HH11 ' HA ' ' A' ' 9' ' ' ASP . 21.3 mtp-105 -64.26 -39.25 93.56 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.03 178.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 9' ' ' ASP . 95.2 t -64.68 -47.2 89.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.57 176.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.591 ' HA ' ' HB3' ' A' ' 17' ' ' ASP . 28.7 m-70 -65.54 -27.31 68.35 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.551 ' HA3' HG21 ' A' ' 112' ' ' VAL . . . -61.15 -44.44 98.14 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.375 -0.917 . . . . 0.0 111.455 173.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.19 -29.81 63.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.226 0.536 . . . . 0.0 110.507 175.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.591 ' HB3' ' HA ' ' A' ' 14' ' ' HIS . 17.4 t70 -58.64 -37.4 75.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.284 176.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.29 97.45 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.029 177.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.608 ' OH ' ' HA ' ' A' ' 86' ' ' PRO . 25.3 m-85 -55.73 140.5 67.39 Favored Pre-proline 0 N--CA 1.464 0.235 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.9 -178.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -88.93 -2.21 62.41 Favored 'Cis proline' 0 CA--C 1.533 0.433 0 C-N-CA 123.775 -1.344 . . . . 0.0 113.293 0.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -78.28 173.2 12.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.175 0.512 . . . . 0.0 111.815 -174.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -89.83 129.44 36.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.23 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -163.29 105.24 0.25 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.2 -1.0 . . . . 0.0 113.194 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.2 p -102.22 -177.36 3.38 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 173.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -173.5 175.18 46.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 119.348 -1.406 . . . . 0.0 113.758 176.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.545 ' HB2' ' HE1' ' A' ' 43' ' ' HIS . 29.2 m-85 -120.39 157.4 29.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.3 -0.45 . . . . 0.0 110.463 -178.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 75.0 mt -95.01 131.17 41.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.338 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.412 HD22 ' HB2' ' A' ' 71' ' ' ALA . 88.7 mt -108.62 137.4 46.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.115 178.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.452 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . -173.25 -157.74 15.76 Favored Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -178.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.418 HG23 HD23 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -135.65 145.71 47.09 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 117.456 0.628 . . . . 0.0 112.005 178.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.627 HG12 ' H ' ' A' ' 33' ' ' ASP . 58.2 t -92.28 134.22 31.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 172.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.458 ' C ' ' H ' ' A' ' 34' ' ' ASP . 39.1 p -70.61 2.9 3.53 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -176.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.627 ' H ' HG12 ' A' ' 31' ' ' VAL . 32.5 t70 75.37 -28.55 0.19 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.925 0.89 . . . . 0.0 110.722 -177.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.458 ' H ' ' C ' ' A' ' 32' ' ' THR . 14.6 t70 -77.91 -35.65 50.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.899 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.28 -11.31 0.76 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.28 -0.962 . . . . 0.0 112.539 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -86.7 148.1 25.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.656 0.265 . . . . 0.0 110.302 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -122.32 134.01 54.66 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 173.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.452 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 10.7 ptm180 -115.97 145.48 42.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.399 0.618 . . . . 0.0 110.093 173.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 52.7 t -98.13 120.67 47.75 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.104 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.113 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.98 -30.73 7.39 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.297 -0.411 . . . . 0.0 112.048 -172.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -149.1 145.41 27.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.421 0.629 . . . . 0.0 112.124 -176.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.4 mt -103.64 145.14 30.5 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 173.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.545 ' HE1' ' HB2' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -133.46 135.74 44.7 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.026 -0.67 . . . . 0.0 110.831 179.897 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -93.98 135.14 35.63 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.9 175.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.13 105.17 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.83 0.348 . . . . 0.0 110.63 170.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 19.0 m -153.48 131.23 11.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.161 0.505 . . . . 0.0 110.908 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 27.2 p30 -158.64 152.89 23.99 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.914 176.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.9 mmm-85 -137.72 -8.49 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.847 0.356 . . . . 0.0 111.106 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -148.17 123.07 10.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.988 -171.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.3 m -70.34 132.72 46.09 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 170.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.467 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 0.9 OUTLIER -74.12 147.68 42.49 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.09 0.472 . . . . 0.0 111.619 -171.298 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.549 ' O ' ' HB2' ' A' ' 53' ' ' ARG . 6.3 tp-100 -82.97 155.51 23.96 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 169.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.549 ' HB2' ' O ' ' A' ' 52' ' ' GLN . 51.5 mtt180 70.7 -179.43 0.23 Allowed 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.334 0.396 . . . . 0.0 110.24 -173.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.9 m 48.35 44.43 20.08 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.364 177.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -81.0 79.96 7.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.698 0.761 . . . . 0.0 111.966 -173.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.51 ' O ' HD22 ' A' ' 59' ' ' LEU . 1.9 mpt_? -122.3 93.32 3.94 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.491 171.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 25.2 p90 -70.88 143.05 51.14 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.322 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 56.63 84.43 0.09 Allowed 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.781 0.675 . . . . 0.0 111.723 -175.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.51 HD22 ' O ' ' A' ' 56' ' ' ARG . 2.6 pt? -136.78 -41.68 0.6 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.513 176.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.41 ' OG1' ' HG2' ' A' ' 65' ' ' ARG . 3.1 p -147.7 151.87 36.86 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.276 177.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' A' ' 65' ' ' ARG . . . -65.58 159.34 24.9 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.094 0.246 . . . . 0.0 110.83 178.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -67.04 162.7 21.56 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.0 t70 71.33 -51.21 0.69 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.85 0.86 . . . . 0.0 110.914 -171.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -58.67 -39.63 81.19 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 177.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.463 ' HE ' HD21 ' A' ' 59' ' ' LEU . 40.5 mtp-105 -55.83 -49.15 74.07 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.454 176.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.58 -33.96 76.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.593 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.476 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . . . -64.46 -43.94 92.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.193 177.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -68.24 -43.21 78.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.184 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.522 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -61.34 -52.61 63.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.198 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.64 -32.25 73.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.349 . . . . 0.0 110.621 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.412 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -62.56 -52.14 64.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.53 177.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -67.48 -31.49 71.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.585 0.231 . . . . 0.0 111.317 -178.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 38.5 mt-10 -61.97 -37.03 83.23 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.345 0.593 . . . . 0.0 111.064 175.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -92.19 -10.98 36.74 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.843 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.38 32.82 41.45 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.61 -175.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.418 HD23 HG23 ' A' ' 30' ' ' THR . 81.1 mt -118.29 179.68 4.04 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 123.27 0.628 . . . . 0.0 110.011 -179.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -139.74 178.11 7.47 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 174.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.4 t -89.65 101.16 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.812 0.339 . . . . 0.0 110.168 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.0 m -87.44 -15.98 9.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.982 -175.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.559 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -178.05 -169.91 39.55 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 119.868 -1.158 . . . . 0.0 113.416 -179.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 t -135.85 156.16 37.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.448 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 41.4 p90 -126.53 140.02 52.77 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.413 175.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -129.08 137.46 51.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.002 -178.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.4 p -116.81 126.69 53.45 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 173.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 56.8 m170 -88.97 141.2 29.38 Favored Pre-proline 0 C--N 1.325 -0.489 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.118 178.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.608 ' HA ' ' OH ' ' A' ' 19' ' ' TYR . 60.0 Cg_endo -99.03 -3.18 0.83 Allowed 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 123.405 2.737 . . . . 0.0 113.985 -177.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -130.01 -71.9 0.59 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.166 0.508 . . . . 0.0 111.013 -173.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -90.23 162.67 34.09 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.479 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.477 ' HA ' ' OG ' ' A' ' 111' ' ' SER . 38.8 Cg_exo -63.21 -163.76 0.05 OUTLIER 'Trans proline' 0 CA--C 1.534 0.512 0 C-N-CA 123.179 2.586 . . . . 0.0 114.124 -177.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.47 ' O ' ' HB3' ' A' ' 91' ' ' ARG . . . -67.8 -174.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.495 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.585 ' HG3' ' HD2' ' A' ' 92' ' ' PRO . 7.6 ttp180 66.89 141.26 0.07 OUTLIER Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.691 -172.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.585 ' HD2' ' HG3' ' A' ' 91' ' ' ARG . 28.4 Cg_endo -63.97 135.77 49.39 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.587 2.191 . . . . 0.0 113.293 -178.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.4 m -80.01 -177.11 5.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.062 173.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.64 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -62.71 -50.44 71.11 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.295 0.479 . . . . 0.0 112.295 -173.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.4 m -80.47 -32.25 37.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.046 0.451 . . . . 0.0 110.444 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -55.62 -41.51 73.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.873 173.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.639 ' HG ' ' HE1' ' A' ' 132' ' ' PHE . 8.4 tt -69.7 -44.03 71.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.528 176.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.64 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 53.3 mt-10 -59.1 -37.0 76.12 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.18 -175.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -79.35 4.96 13.73 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -176.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.583 ' HB1' HD22 ' A' ' 125' ' ' LEU . . . -77.76 76.18 4.29 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.414 0.626 . . . . 0.0 109.605 173.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 15.3 t -100.68 -5.23 26.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.91 -175.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -120.11 85.76 36.1 Favored Pre-proline 0 C--N 1.316 -0.858 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.024 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.577 ' HA ' ' OH ' ' A' ' 107' ' ' TYR . 6.0 Cg_exo -78.42 172.04 15.92 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.372 2.714 . . . . 0.0 112.577 -178.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 100.34 10.39 44.93 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.901 -0.666 . . . . 0.0 113.019 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.559 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 84.3 m-85 -122.26 162.95 20.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.711 0.291 . . . . 0.0 111.044 -178.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 37.6 m -92.15 116.97 29.4 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 170.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.577 ' OH ' ' HA ' ' A' ' 103' ' ' PRO . 30.9 m-85 -99.3 108.51 21.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.696 0.284 . . . . 0.0 110.565 -174.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 82' ' ' TYR . 58.2 t -97.1 115.31 36.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.487 HD12 ' HD3' ' A' ' 92' ' ' PRO . 65.5 mt -110.08 118.25 56.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.685 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.3 p -108.07 138.55 34.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.532 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.518 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 22.4 t -93.14 109.71 21.2 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.088 176.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.551 HG21 ' HA3' ' A' ' 15' ' ' GLY . 79.1 t -126.9 116.31 44.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -114.49 103.51 11.11 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.023 0.44 . . . . 0.0 110.685 -171.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 56.1 t0 49.53 57.87 6.03 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.857 -178.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 84.47 -6.45 76.92 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.611 -0.722 . . . . 0.0 113.461 175.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -106.48 109.06 62.87 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 117.12 0.46 . . . . 0.0 111.58 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.454 ' HB3' ' HB3' ' A' ' 12' ' ' ARG . 17.3 Cg_exo -68.53 120.62 7.55 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.866 2.377 . . . . 0.0 111.437 175.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.518 ' HB3' ' HB3' ' A' ' 111' ' ' SER . 44.5 tt0 -94.34 -69.5 0.75 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.245 -174.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -150.54 155.37 39.32 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.939 0.4 . . . . 0.0 111.933 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 28.4 mt -105.29 141.41 36.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.05 175.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 25.7 p -140.82 130.51 24.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.142 173.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -110.19 135.04 51.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.886 0.374 . . . . 0.0 110.413 178.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.425 ' CZ3' ' HB2' ' A' ' 134' ' ' ARG . 62.5 m95 -133.49 145.34 50.1 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.424 0.631 . . . . 0.0 112.062 -171.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -112.56 127.96 56.22 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.033 169.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.583 HD22 ' HB1' ' A' ' 100' ' ' ALA . 54.7 tp -81.65 140.25 34.5 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.757 0.313 . . . . 0.0 110.624 -177.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.527 ' O ' ' HG ' ' A' ' 125' ' ' LEU . . . -65.5 141.48 97.98 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 171.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.24 -24.81 43.66 Favored 'Trans proline' 0 N--CA 1.473 0.298 0 C-N-CA 122.746 2.298 . . . . 0.0 112.819 -176.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -106.33 12.72 29.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.086 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.442 ' HA ' HD11 ' A' ' 125' ' ' LEU . 38.3 ptt180 44.41 44.52 6.97 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.443 1.097 . . . . 0.0 113.15 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 62.1 m -81.48 -25.44 36.03 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.377 172.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -171.55 177.11 3.55 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.173 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.639 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 51.6 m-85 -110.97 153.39 25.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.248 172.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -123.34 132.77 54.1 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 175.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.425 ' HB2' ' CZ3' ' A' ' 123' ' ' TRP . 59.9 ttt-85 -79.66 142.35 35.63 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.837 -174.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -133.93 150.46 51.31 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 175.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -103.7 162.59 12.95 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -176.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.575 HG12 HD21 ' A' ' 8' ' ' LEU . 3.1 mp -85.77 119.03 33.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 121.001 0.429 . . . . 0.0 110.313 -177.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -109.16 145.42 15.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.401 176.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.444 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 27.8 mtm180 -74.58 144.54 80.79 Favored Pre-proline 0 C--N 1.318 -0.766 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.365 -176.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.599 ' O ' ' HD3' ' A' ' 142' ' ' PRO . 33.6 Cg_exo -61.31 137.97 73.9 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.546 2.164 . . . . 0.0 111.361 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -91.13 97.1 1.17 Allowed Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . 0.599 ' HD3' ' O ' ' A' ' 140' ' ' PRO . 92.9 Cg_endo -99.86 30.28 0.11 Allowed 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 123.357 2.704 . . . . 0.0 112.922 -171.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -115.53 -6.34 12.24 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.187 -177.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -86.56 144.29 37.38 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.632 175.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -51.67 132.84 42.66 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.562 2.174 . . . . 0.0 111.94 178.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.33 179.14 5.35 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.493 -173.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.96 154.58 26.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.224 177.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -74.22 -5.35 41.45 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.729 0.3 . . . . 0.0 110.325 -176.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 76.87 98.07 0.07 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.894 0.878 . . . . 0.0 111.379 174.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -79.61 89.86 5.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.269 177.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -155.45 116.05 3.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.176 178.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -77.09 116.13 17.47 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.571 -0.452 . . . . 0.0 109.988 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 . . . . . 0 C--O 1.245 0.831 0 CA-C-N 114.891 -1.049 . . . . 0.0 110.46 -172.405 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.604 ' HA ' ' O ' ' A' ' 36' ' ' ASP . 20.4 ttt . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 120.812 0.339 . . . . 0.0 110.742 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.468 ' HD2' ' HB ' ' A' ' 138' ' ' VAL . 0.3 OUTLIER -115.69 144.56 43.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.394 177.731 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.563 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 11.2 t -157.02 149.91 23.66 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.552 HG22 ' HG3' ' A' ' 140' ' ' PRO . 40.9 p -81.44 148.69 63.32 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-O 120.718 0.294 . . . . 0.0 111.2 -175.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.14 -27.43 84.87 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.543 2.162 . . . . 0.0 110.564 175.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.467 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 12.5 t0 -56.26 -49.77 73.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.969 174.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.561 ' O ' HG13 ' A' ' 11' ' ' ILE . 29.8 mm -68.06 -45.23 83.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.721 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 89.8 mt -57.43 -42.47 82.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.791 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -69.28 -38.88 78.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.156 0.503 . . . . 0.0 110.306 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 47.3 mt-30 -61.68 -38.6 88.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.127 175.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 7' ' ' ILE . 74.8 mt -63.82 -49.41 82.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 120.67 0.271 . . . . 0.0 111.176 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 12' ' ' ARG . 1.6 ptm180 -63.75 -37.63 88.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.97 -178.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.4 t -69.51 -40.41 79.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.909 0.385 . . . . 0.0 110.208 175.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -58.24 -35.55 71.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.49 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.24 -49.16 80.8 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.076 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.03 -26.69 62.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.98 0.419 . . . . 0.0 111.119 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -74.93 -38.88 61.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.219 -178.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.93 -34.3 26.59 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.746 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.551 ' HA ' ' N ' ' A' ' 21' ' ' GLU . 6.7 m-85 -69.47 162.35 67.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.073 -176.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.458 ' HA ' ' HB3' ' A' ' 19' ' ' TYR . 15.2 Cg_exo -68.56 -4.73 6.83 Favored 'Cis proline' 0 C--N 1.353 0.8 0 N-CA-C 114.601 0.962 . . . . 0.0 114.601 7.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.551 ' N ' ' HA ' ' A' ' 19' ' ' TYR . 28.8 mt-10 -73.96 135.75 43.22 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 176.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -75.06 89.28 2.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.01 0.433 . . . . 0.0 110.059 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.61 110.57 3.16 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.988 177.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.4 p -99.43 -179.84 4.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.689 0.281 . . . . 0.0 110.577 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 170.63 -157.98 29.42 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.171 -1.014 . . . . 0.0 112.837 177.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -134.84 165.18 25.89 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -176.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.3 mt -114.85 134.21 55.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.393 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.551 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 74.1 mt -116.16 144.52 44.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.887 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 175.02 -153.12 14.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 119.781 -1.2 . . . . 0.0 112.948 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.31 146.42 44.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.198 0.523 . . . . 0.0 111.397 -177.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.2 t -96.32 110.29 24.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.339 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.09 137.75 57.27 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.956 177.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.54 -22.63 65.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.029 0.442 . . . . 0.0 111.12 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -74.16 -18.56 60.76 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.175 178.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.76 25.25 27.99 Favored Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -172.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.604 ' O ' ' HA ' ' A' ' 1' ' ' MET . 12.7 t70 -79.82 -48.36 13.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.209 -0.495 . . . . 0.0 111.322 -176.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.809 HD21 ' HB ' ' A' ' 79' ' ' VAL . 26.3 t-20 78.08 112.89 0.07 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.881 0.872 . . . . 0.0 111.273 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -115.94 109.65 17.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.819 -178.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.0 t -86.92 123.79 40.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.69 -7.2 6.8 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -174.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.551 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -144.38 143.3 30.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.974 0.416 . . . . 0.0 111.232 -178.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.6 mt -101.6 154.82 18.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.715 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -134.47 119.46 18.55 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.058 0.456 . . . . 0.0 110.468 174.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -83.93 138.33 33.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.551 174.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.76 108.27 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.142 0.496 . . . . 0.0 110.84 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.9 m -83.13 -3.7 57.61 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 122.156 0.979 . . . . 0.0 108.709 178.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.455 ' HB3' ' H ' ' A' ' 48' ' ' ARG . 19.5 m-80 65.31 -158.4 0.28 Allowed 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 113.849 -1.523 . . . . 0.0 112.246 175.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.588 ' HD2' ' N ' ' A' ' 48' ' ' ARG . 5.2 mpt_? -85.91 90.99 8.23 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.445 -169.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -137.02 109.66 7.5 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.015 174.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.7 t -161.44 125.47 3.35 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.007 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.452 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -64.69 -41.92 95.7 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 173.184 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 67.23 164.97 0.21 Allowed 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.989 172.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 64.36 39.1 7.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.471 0.653 . . . . 0.0 111.262 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.432 HG23 ' HG2' ' A' ' 56' ' ' ARG . 9.0 t -106.85 18.78 21.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.884 0.85 . . . . 0.0 108.798 174.007 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 61.82 79.7 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.122 -1.399 . . . . 0.0 111.567 -175.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.432 ' HG2' HG23 ' A' ' 54' ' ' THR . 14.1 ptm180 -178.98 -174.98 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.482 -1.235 . . . . 0.0 107.754 173.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -63.59 149.27 46.75 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.563 0.697 . . . . 0.0 111.462 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -82.27 -164.54 0.84 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.994 -175.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.435 HD21 ' HG3' ' A' ' 48' ' ' ARG . 49.4 tp -60.41 -44.29 95.88 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 175.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.8 m 60.31 78.03 0.3 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 114.839 -1.073 . . . . 0.0 112.765 170.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 58.51 97.27 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.816 173.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.4 t70 68.21 -161.61 0.2 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.977 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -87.64 63.7 7.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.543 0.687 . . . . 0.0 111.194 -175.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -71.12 -40.44 71.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.514 173.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -57.15 -48.6 78.29 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -172.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.44 -27.5 64.3 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.629 -178.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.75 -44.28 70.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.285 175.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.581 ' O ' ' HG2' ' A' ' 72' ' ' GLN . 14.3 t70 -64.71 -47.51 78.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.54 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.493 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -58.52 -53.43 58.39 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.469 -178.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.37 -32.66 74.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 110.843 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.51 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -63.95 -49.02 74.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.361 175.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.581 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 74.8 mm-40 -61.02 -39.58 90.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 110.661 178.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 50.9 mt-10 -57.49 -43.89 84.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.277 177.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -89.14 -4.29 58.34 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.329 -175.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.43 31.7 58.7 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.349 -0.929 . . . . 0.0 111.842 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.8 mt -125.37 -175.11 3.23 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.433 ' HA ' ' HB1' ' A' ' 71' ' ' ALA . 6.5 p-10 -140.41 175.29 9.72 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 171.23 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.412 ' HA ' HD23 ' A' ' 28' ' ' LEU . 23.9 t -78.89 100.0 3.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.824 -178.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.809 ' HB ' HD21 ' A' ' 37' ' ' ASN . 31.3 m -95.07 -3.96 10.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.676 -174.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -171.05 175.48 44.7 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 119.902 -1.142 . . . . 0.0 113.293 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.5 t -137.63 156.25 32.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.415 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 40.5 p90 -133.93 141.98 47.54 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.767 177.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -118.28 139.37 51.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.205 178.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.5 m -106.15 125.93 51.59 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 174.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.496 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 37.7 m170 -125.31 142.09 40.59 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-O 120.825 0.345 . . . . 0.0 110.659 -179.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 9.3 Cg_endo -91.74 129.6 1.14 Allowed 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.445 2.763 . . . . 0.0 113.004 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.433 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 23.2 t70 53.73 73.97 0.35 Allowed 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.851 173.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -154.78 163.26 24.98 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.909 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -70.75 6.9 1.44 Allowed 'Trans proline' 0 N--CA 1.475 0.414 0 C-N-CA 123.282 2.655 . . . . 0.0 113.087 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 67.26 78.35 0.25 Allowed 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 121.808 0.813 . . . . 0.0 110.389 -175.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -163.31 162.39 17.6 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 114.843 -1.071 . . . . 0.0 108.632 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.92 149.06 77.49 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.567 2.178 . . . . 0.0 112.598 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.8 m -94.45 162.91 13.63 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 173.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.653 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -55.65 -47.97 75.77 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -174.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 98.5 m -80.9 -31.42 35.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.656 0.265 . . . . 0.0 111.143 -178.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -60.34 -35.09 74.85 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 174.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.578 ' HG ' ' HE1' ' A' ' 132' ' ' PHE . 8.8 tt -69.4 -45.15 69.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.221 173.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.653 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 47.1 mt-10 -58.01 -40.12 79.98 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.642 -178.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -72.67 -13.82 61.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.87 0.367 . . . . 0.0 111.679 -176.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.23 86.96 4.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.444 0.64 . . . . 0.0 109.764 174.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.6 m -113.92 7.54 16.96 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.395 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -124.63 86.54 55.52 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.354 -177.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.63 160.55 47.57 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.874 2.383 . . . . 0.0 112.183 178.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 112.9 -12.86 24.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.625 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -107.29 144.49 34.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.444 -0.378 . . . . 0.0 110.264 178.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.4 HG21 ' SD ' ' A' ' 1' ' ' MET . 14.6 m -91.41 129.34 37.4 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 174.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.477 ' CD2' ' HE2' ' A' ' 132' ' ' PHE . 98.1 m-85 -104.38 117.36 34.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.937 0.399 . . . . 0.0 111.113 -175.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 82' ' ' TYR . 85.2 t -106.04 126.11 61.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.91 176.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.4 mt -116.2 126.09 73.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 120.998 0.428 . . . . 0.0 110.422 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.461 ' HB ' HD23 ' A' ' 120' ' ' LEU . 6.9 p -111.76 139.09 37.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.581 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.8 t -100.68 109.65 21.72 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.592 177.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 44.3 t -119.29 116.76 51.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 177.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.433 ' HG2' ' HA ' ' A' ' 87' ' ' ASP . 43.2 mtt180 -104.23 80.9 1.76 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.793 -176.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.8 t70 50.71 79.66 0.09 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 114.814 -1.084 . . . . 0.0 111.965 -176.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.529 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 80.61 -15.58 18.69 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.87 -0.681 . . . . 0.0 113.021 177.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -101.04 103.93 28.77 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.712 0.256 . . . . 0.0 111.646 -178.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.529 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 3.3 Cg_exo -77.04 111.59 3.25 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 123.174 2.583 . . . . 0.0 111.05 176.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -83.16 -67.94 0.75 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.365 -174.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -149.3 158.32 44.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.138 0.494 . . . . 0.0 111.669 -176.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.461 HD23 ' HB ' ' A' ' 110' ' ' VAL . 56.4 mt -112.72 122.31 47.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.745 176.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 40.7 p -119.99 131.48 55.17 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.639 0.257 . . . . 0.0 110.827 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.8 133.32 53.27 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.017 0.437 . . . . 0.0 109.829 178.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -126.78 138.75 53.41 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.015 -173.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -105.14 127.76 53.05 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.485 175.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 61.8 tp -83.77 137.72 33.6 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.85 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.58 135.44 63.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.93 175.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -52.87 -36.05 72.85 Favored 'Trans proline' 0 N--CA 1.473 0.312 0 C-N-CA 123.299 2.666 . . . . 0.0 113.361 -174.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -94.65 8.02 43.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.442 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? 63.2 97.12 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.384 0.611 . . . . 0.0 110.602 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 23.0 m -150.09 -48.63 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.424 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -153.62 172.28 17.47 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.053 -177.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.578 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 65.7 m-85 -107.77 147.93 30.17 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.752 177.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -124.87 145.15 49.95 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.127 0.489 . . . . 0.0 110.012 176.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -91.86 139.39 30.71 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.423 -178.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -133.04 163.05 30.1 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 175.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -87.64 147.81 25.1 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 3.4 mp -84.21 125.11 40.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.468 ' HB ' ' HD2' ' A' ' 2' ' ' LYS . 1.0 OUTLIER -109.15 154.83 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.107 0.48 . . . . 0.0 110.421 -177.299 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -80.59 152.8 73.05 Favored Pre-proline 0 C--N 1.317 -0.841 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.67 -178.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.563 ' HD3' ' O ' ' A' ' 3' ' ' THR . 16.7 Cg_endo -56.94 144.73 88.04 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.947 2.432 . . . . 0.0 112.182 -176.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' A' ' 142' ' ' PRO . 2.8 m-20 -46.87 111.96 1.75 Allowed Pre-proline 0 C--O 1.234 0.255 0 O-C-N 123.918 0.761 . . . . 0.0 111.071 -178.002 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 141' ' ' ASP . 31.9 Cg_exo -58.01 89.16 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 124.251 3.301 . . . . 0.0 114.624 -165.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.504 ' O ' ' HD3' ' A' ' 145' ' ' PRO . 43.4 mt-10 49.71 31.69 4.58 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.197 175.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -94.86 104.8 15.73 Favored Pre-proline 0 C--N 1.317 -0.846 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.128 178.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.504 ' HD3' ' O ' ' A' ' 143' ' ' GLU . 93.1 Cg_endo -93.88 158.63 2.26 Favored 'Trans proline' 0 N--CA 1.45 -1.044 0 C-N-CA 122.935 2.423 . . . . 0.0 112.848 -178.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.414 ' N ' HD12 ' A' ' 146' ' ' LEU . 6.5 mp -84.82 163.96 18.75 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 175.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.07 106.67 2.45 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 176.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . 0.438 ' O ' ' HB2' ' A' ' 149' ' ' HIS . 12.6 m80 -59.23 -44.31 92.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.894 -173.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . 0.438 ' HB2' ' O ' ' A' ' 148' ' ' HIS . 79.2 m80 68.22 -48.39 0.54 Allowed 'General case' 0 N--CA 1.472 0.635 0 O-C-N 123.574 0.547 . . . . 0.0 111.019 -172.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 3.0 t60 61.97 48.11 5.44 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.485 0.66 . . . . 0.0 109.699 -178.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.444 ' O ' ' HB3' ' A' ' 152' ' ' HIS . 11.1 t-80 -101.55 139.73 36.8 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.121 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.444 ' HB3' ' O ' ' A' ' 151' ' ' HIS . 50.7 t60 71.52 99.59 0.07 Allowed 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.852 0.72 . . . . 0.0 110.613 -177.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.535 -0.745 . . . . 0.0 109.982 174.574 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.547 ' HA ' ' OD1' ' A' ' 36' ' ' ASP . 1.2 tmt? . . . . . 0 N--CA 1.477 0.922 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 138' ' ' VAL . 10.8 mptt -127.15 119.27 26.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.036 0.446 . . . . 0.0 111.834 -178.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.464 HG22 HG23 ' A' ' 137' ' ' ILE . 5.2 t -159.09 173.8 15.88 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.144 174.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 26.1 p -97.68 151.97 37.89 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-O 120.634 0.254 . . . . 0.0 110.692 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.64 -29.13 69.13 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.024 2.483 . . . . 0.0 111.65 176.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.34 -45.5 88.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.69 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.495 ' O ' HG13 ' A' ' 11' ' ' ILE . 46.3 mm -64.47 -43.99 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.285 177.118 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.544 HD11 HG21 ' A' ' 137' ' ' ILE . 97.4 mt -56.89 -41.94 78.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.893 179.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.547 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 36.4 t70 -63.73 -45.23 90.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.452 177.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.46 ' NE2' HD13 ' A' ' 7' ' ' ILE . 51.3 mt-30 -56.84 -36.47 70.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.091 176.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 7' ' ' ILE . 75.6 mt -65.25 -50.0 75.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.489 0.185 . . . . 0.0 111.323 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.547 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -65.65 -36.97 85.22 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.797 -0.183 . . . . 0.0 111.307 -178.438 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.4 t -69.28 -44.28 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.971 0.415 . . . . 0.0 110.397 176.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.861 ' HE1' ' HB2' ' A' ' 44' ' ' ARG . 14.8 t-80 -62.73 -31.87 72.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.302 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.26 -38.03 91.38 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.285 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.91 -34.42 66.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.957 0.408 . . . . 0.0 110.096 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -63.68 -38.64 91.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.083 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.85 95.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.343 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -67.18 159.15 78.7 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.047 -178.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.86 -3.28 16.14 Favored 'Cis proline' 0 C--N 1.347 0.458 0 C-N-CA 124.104 -1.207 . . . . 0.0 113.733 4.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -75.26 -174.26 2.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.121 0.486 . . . . 0.0 110.731 177.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -87.4 144.2 26.87 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.671 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.486 ' HA2' ' HD2' ' A' ' 44' ' ' ARG . . . -102.79 -99.07 2.47 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.303 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.8 t 63.8 -176.81 0.16 Allowed 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 121.199 0.524 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 145.1 -176.03 24.36 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.061 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -109.68 150.66 27.94 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.851 0.358 . . . . 0.0 110.54 -176.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.0 mt -97.96 119.18 36.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.506 177.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.511 HD22 ' HB2' ' A' ' 71' ' ' ALA . 85.9 mt -103.77 132.68 49.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.945 0.402 . . . . 0.0 110.379 -177.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.516 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . 176.94 -147.68 8.51 Favored Glycine 0 N--CA 1.441 -0.991 0 C-N-CA 120.913 -0.66 . . . . 0.0 111.723 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.1 p -136.39 159.2 42.49 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.693 0.282 . . . . 0.0 111.142 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.3 t -89.31 124.65 42.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 33' ' ' ASP . 2.1 m -135.15 172.66 12.69 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.867 -170.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.427 ' H ' HG22 ' A' ' 32' ' ' THR . 31.9 t70 74.27 -86.81 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.579 0.752 . . . . 0.0 111.966 171.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -163.77 54.43 0.16 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 122.246 1.022 . . . . 0.0 108.892 178.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.73 33.11 7.23 Favored Glycine 0 C--N 1.311 -0.847 0 CA-C-N 114.055 -1.43 . . . . 0.0 111.42 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.547 ' OD1' ' HA ' ' A' ' 1' ' ' MET . 7.2 t0 -111.9 163.85 13.76 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 176.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -114.95 121.5 43.36 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 121.408 0.623 . . . . 0.0 110.952 -172.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.516 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 57.2 ttt180 -101.87 106.82 17.83 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.132 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 62.0 t -90.56 119.11 37.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.558 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -113.59 -21.84 10.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.838 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.511 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -139.5 154.88 47.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.907 0.384 . . . . 0.0 111.513 -176.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 74.9 mt -122.81 147.43 46.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.387 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -146.59 122.42 10.61 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.861 ' HB2' ' HE1' ' A' ' 14' ' ' HIS . 9.5 ttp180 -84.92 129.71 34.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.177 0.513 . . . . 0.0 110.508 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.22 100.91 10.88 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.89 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.51 95.9 4.82 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.182 0.515 . . . . 0.0 110.454 -178.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.83 73.46 7.51 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-O 121.819 0.819 . . . . 0.0 110.357 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -104.51 -59.77 1.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.592 -1.185 . . . . 0.0 109.97 176.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -113.09 -23.2 10.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.934 -173.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.9 t -80.77 36.47 0.39 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.047 0.451 . . . . 0.0 110.906 -176.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.833 ' HG2' ' HB3' ' A' ' 57' ' ' TYR . 7.4 tm-20 -82.35 -69.58 0.61 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.996 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -78.57 23.03 0.33 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.852 -176.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.428 ' HD3' ' OD2' ' A' ' 62' ' ' ASP . 41.3 ttt180 -66.15 -62.97 1.19 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.065 0.46 . . . . 0.0 110.579 -178.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.0 m -101.69 -33.02 10.03 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.147 -175.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -161.66 -174.81 4.39 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -175.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -80.96 133.74 35.57 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 171.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.833 ' HB3' ' HG2' ' A' ' 51' ' ' GLU . 21.6 p90 -53.75 -43.15 68.92 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -175.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 57' ' ' TYR . 10.8 pt-20 57.69 -47.15 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 125.894 1.678 . . . . 0.0 113.245 -176.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.9 tt -163.68 -43.56 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.9 p -86.29 -169.59 2.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.784 178.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -143.28 172.58 12.55 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 176.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.428 ' OD2' ' HD3' ' A' ' 53' ' ' ARG . 28.3 t70 -88.34 0.45 56.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.892 0.377 . . . . 0.0 111.312 -174.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -57.86 -35.99 71.72 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.141 -178.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -62.92 -45.63 91.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.438 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.2 mtp-105 -64.93 -43.37 92.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.775 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.53 -35.71 81.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.888 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.16 -40.2 78.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.079 176.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.469 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 25.2 t70 -66.78 -44.03 82.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.741 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.484 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -60.63 -51.25 70.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.795 179.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.29 -32.8 73.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.899 0.381 . . . . 0.0 110.546 177.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.511 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -63.52 -48.83 75.93 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.248 175.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 68' ' ' ASP . 65.1 mt-30 -57.99 -41.39 82.92 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.888 0.375 . . . . 0.0 110.47 177.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 53.2 mt-10 -57.31 -39.65 76.24 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.116 177.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.409 HE21 ' HB2' ' A' ' 74' ' ' GLN . 17.8 mt-30 -85.72 -18.5 32.9 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.834 -178.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.07 28.58 25.26 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.409 -176.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 72.2 mt -124.6 178.12 5.6 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 122.737 0.415 . . . . 0.0 110.003 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -139.62 -179.33 5.85 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 174.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.9 t -85.15 109.25 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.944 0.402 . . . . 0.0 110.304 -179.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.3 m -102.85 -11.01 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.634 -177.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -172.54 -176.53 41.3 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.041 -1.075 . . . . 0.0 113.035 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.484 ' O ' ' HA ' ' A' ' 107' ' ' TYR . 4.8 t -137.96 157.62 32.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -137.27 140.78 41.83 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.995 176.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -130.17 147.42 51.9 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -176.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.4 p -104.69 128.33 52.72 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.59 0.233 . . . . 0.0 110.464 -176.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 23.8 m170 -108.84 143.75 28.2 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.168 179.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 3.5 Cg_exo -81.62 107.66 1.82 Allowed 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 123.052 2.501 . . . . 0.0 111.257 174.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.4 t0 64.65 -158.53 0.3 Allowed 'General case' 0 C--O 1.235 0.318 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 73.5 m80 68.65 164.14 0.13 Allowed Pre-proline 0 C--N 1.323 -0.569 0 C-N-CA 123.397 0.679 . . . . 0.0 112.232 175.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -68.54 5.78 1.16 Allowed 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 123.768 2.978 . . . . 0.0 114.414 -174.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.628 ' HB2' ' HB2' ' A' ' 111' ' ' SER . . . 72.75 12.72 5.27 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 175.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 91' ' ' ARG . 43.3 mtt180 -80.39 154.5 74.24 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 175.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -57.2 143.77 92.46 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 123.085 2.523 . . . . 0.0 113.464 -177.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.3 m -98.86 173.64 6.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.341 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.601 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -66.05 -50.36 64.41 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -172.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.0 m -79.45 -32.92 42.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.318 0.58 . . . . 0.0 109.504 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -56.94 -40.96 77.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.182 177.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.412 ' HA ' ' HE2' ' A' ' 132' ' ' PHE . 6.7 tt -70.36 -43.53 69.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.473 175.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.601 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 69.3 mt-10 -61.47 -26.27 67.79 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -176.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -77.9 -9.17 58.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.678 0.275 . . . . 0.0 111.686 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -91.99 113.79 26.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.844 0.354 . . . . 0.0 110.442 179.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.471 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 1.7 m -128.04 13.4 6.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.023 0.439 . . . . 0.0 111.514 -176.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -115.39 87.19 16.12 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 120.668 0.271 . . . . 0.0 111.524 -178.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.471 ' HD3' ' O ' ' A' ' 101' ' ' THR . 16.4 Cg_exo -68.13 115.31 3.76 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.897 2.398 . . . . 0.0 112.069 179.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 128.87 -24.38 4.84 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.478 -178.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -79.09 148.86 32.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.589 -0.305 . . . . 0.0 110.209 176.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 62.8 m -92.6 122.99 35.56 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 175.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.484 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 58.7 m-85 -103.34 110.66 22.74 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.715 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 84.7 t -95.97 119.87 44.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.213 0.53 . . . . 0.0 110.017 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.1 mt -109.94 118.18 56.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.668 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.669 HG23 ' HG ' ' A' ' 120' ' ' LEU . 7.5 p -105.97 133.22 50.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.491 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.628 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 33.0 t -88.3 109.89 20.32 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.848 178.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.484 HG12 ' H ' ' A' ' 115' ' ' GLY . 27.0 t -114.82 115.14 48.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 176.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -87.19 79.07 8.7 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.408 -175.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.4 t70 60.15 25.7 15.05 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.039 176.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.484 ' H ' HG12 ' A' ' 112' ' ' VAL . . . 131.66 -23.77 4.19 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.626 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -98.11 109.96 54.02 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 122.837 -0.214 . . . . 0.0 111.356 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -65.72 118.48 5.52 Favored 'Trans proline' 0 N--CA 1.463 -0.265 0 C-N-CA 122.452 2.101 . . . . 0.0 111.06 176.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -100.29 -70.39 0.74 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.116 -175.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -134.94 150.49 50.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.961 0.41 . . . . 0.0 111.123 -177.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.669 ' HG ' HG23 ' A' ' 110' ' ' VAL . 5.9 mp -117.32 136.73 52.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.026 179.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 35.1 p -132.36 145.55 51.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.555 0.217 . . . . 0.0 110.49 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -119.24 134.64 55.1 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.0 0.429 . . . . 0.0 110.168 177.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 70.5 m95 -129.3 151.47 49.91 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.982 -174.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -115.85 133.55 55.91 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.354 174.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 54.1 tp -80.13 133.72 36.1 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.4 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . . . -54.98 140.59 61.23 Favored Pre-proline 0 C--N 1.33 -0.255 0 O-C-N 123.562 0.539 . . . . 0.0 110.978 -179.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 126' ' ' ALA . 66.4 Cg_exo -51.6 -28.25 28.38 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.436 2.757 . . . . 0.0 113.197 -176.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -122.3 51.65 1.36 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.846 0.355 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 44.14 38.47 2.35 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.315 1.046 . . . . 0.0 113.403 171.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 6.1 m -78.88 -60.27 2.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.973 0.416 . . . . 0.0 110.831 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -167.46 -165.32 0.66 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.492 -175.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.412 ' HE2' ' HA ' ' A' ' 97' ' ' LEU . 34.0 m-85 -104.44 144.84 31.12 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.126 0.489 . . . . 0.0 109.976 175.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -123.73 146.71 48.08 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.319 176.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' A' ' 134' ' ' ARG . 9.0 tpt180 -67.87 135.05 51.91 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.756 -172.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -117.54 175.09 5.8 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.939 -1.028 . . . . 0.0 108.879 174.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -146.2 146.25 30.74 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.662 -178.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.544 HG21 HD11 ' A' ' 8' ' ' LEU . 3.7 mp -91.55 114.94 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.249 -176.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 0.6 OUTLIER -116.83 155.33 18.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 177.133 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.404 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 44.0 mtp180 -72.51 137.77 80.74 Favored Pre-proline 0 C--N 1.318 -0.783 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 177.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 139' ' ' ARG . 15.1 Cg_exo -67.99 116.32 4.25 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.609 2.206 . . . . 0.0 111.284 177.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -78.4 113.77 37.03 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.325 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -82.78 30.05 0.54 Allowed 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.664 2.242 . . . . 0.0 112.149 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -128.03 2.21 5.9 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.63 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.421 ' HA ' ' HD3' ' A' ' 145' ' ' PRO . . . -74.2 129.79 83.76 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.733 178.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 144' ' ' ALA . 12.1 Cg_exo -68.96 134.32 29.36 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.719 2.279 . . . . 0.0 111.698 177.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 4.1 pp -77.2 148.55 35.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.103 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.03 166.37 11.97 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-O 121.448 0.642 . . . . 0.0 111.785 -176.192 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -75.82 77.74 2.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.639 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -68.76 107.01 2.86 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.494 0.664 . . . . 0.0 110.985 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -99.38 36.59 1.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.323 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 42.5 m80 62.03 80.87 0.21 Allowed 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.36 -170.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 66.54 -76.22 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.403 -172.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.288 -0.863 . . . . 0.0 108.863 178.016 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 ttm . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.521 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -100.95 122.5 43.6 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 173.278 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.472 HG21 HD21 ' A' ' 8' ' ' LEU . 15.1 t -156.98 174.64 15.22 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.978 -171.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 46.5 p -114.19 148.65 40.53 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.498 -176.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -55.35 -34.58 89.27 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 123.0 2.467 . . . . 0.0 112.276 178.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.504 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 34.1 t70 -59.32 -47.4 85.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.86 178.291 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.555 ' O ' HG13 ' A' ' 11' ' ' ILE . 46.3 mm -68.35 -42.72 84.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.374 178.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.472 HD21 HG21 ' A' ' 3' ' ' THR . 86.5 mt -54.75 -45.6 74.21 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.574 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -67.29 -39.61 86.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.124 0.487 . . . . 0.0 110.61 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.504 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 47.8 mt-30 -63.33 -33.55 75.76 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.145 178.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 7' ' ' ILE . 74.7 mt -61.88 -40.93 88.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 175.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 67.6 mtt180 -58.56 -49.43 77.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.243 0.544 . . . . 0.0 110.174 176.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.33 -46.9 91.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.356 -178.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -65.19 -27.74 68.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.813 -177.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.95 -47.36 91.67 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.69 175.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.79 -30.56 62.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.068 0.461 . . . . 0.0 110.728 176.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -59.24 -36.27 75.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.402 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.96 -15.4 57.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.379 -178.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.445 ' OH ' ' HB3' ' A' ' 86' ' ' PRO . 2.0 m-85 -67.07 164.49 35.14 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.105 -178.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -77.44 -2.99 28.99 Favored 'Cis proline' 0 C--N 1.351 0.677 0 C-N-CA 124.589 -1.005 . . . . 0.0 113.775 2.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -81.24 169.21 17.61 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.801 -178.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -74.68 122.85 23.85 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.101 0.477 . . . . 0.0 110.305 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.83 89.36 0.8 Allowed Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.603 -177.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.1 p -95.82 151.98 18.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.883 0.373 . . . . 0.0 110.005 174.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -171.92 -177.54 41.59 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.184 -1.007 . . . . 0.0 112.734 -178.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -116.68 149.1 40.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.626 0.251 . . . . 0.0 110.76 -175.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.5 mt -105.27 125.33 50.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.155 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.547 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 61.1 mt -110.02 144.64 38.28 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -178.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.497 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . -173.91 -159.8 21.03 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.087 -1.054 . . . . 0.0 112.684 179.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.1 p -121.24 159.93 24.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.865 0.364 . . . . 0.0 111.0 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.9 t -96.01 109.83 23.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.984 0.421 . . . . 0.0 110.145 176.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.408 ' C ' ' H ' ' A' ' 34' ' ' ASP . 17.8 p -97.6 149.96 21.66 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.853 177.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.5 t70 70.35 -3.45 1.85 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.335 0.588 . . . . 0.0 110.325 178.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 32' ' ' THR . 24.0 t70 68.1 20.15 9.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.92 -1.037 . . . . 0.0 109.833 -176.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.0 10.27 0.12 Allowed Glycine 0 CA--C 1.523 0.576 0 C-N-CA 120.654 -0.784 . . . . 0.0 113.791 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -123.9 159.82 28.84 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 117.466 0.633 . . . . 0.0 110.97 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.455 ' HB2' ' HB ' ' A' ' 79' ' ' VAL . 7.7 p30 -105.49 123.12 47.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.401 177.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.521 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 57.3 ttt180 -116.88 109.28 16.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.26 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.8 t -76.7 129.78 36.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.716 -0.22 . . . . 0.0 110.813 -178.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -130.77 -27.67 2.08 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -177.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.547 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -137.67 148.03 45.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.933 0.397 . . . . 0.0 111.406 -176.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.8 mt -113.67 145.41 41.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.302 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -137.88 121.13 16.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.735 0.303 . . . . 0.0 110.747 176.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.65 ' HG3' HG22 ' A' ' 46' ' ' THR . 14.2 ptp180 -84.88 138.79 32.32 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 174.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.486 ' O ' ' HB ' ' A' ' 46' ' ' THR . . . -71.45 89.62 0.94 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 111.585 -176.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.65 HG22 ' HG3' ' A' ' 44' ' ' ARG . 9.9 t 175.01 156.08 0.16 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.722 176.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -97.43 142.85 28.78 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.091 0.472 . . . . 0.0 110.188 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.443 ' HD2' ' O ' ' A' ' 48' ' ' ARG . 3.7 tmm_? -97.57 88.28 4.32 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.988 -175.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 59.91 -169.52 0.15 Allowed 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.767 174.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.6 t 63.97 28.07 14.38 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.3 174.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.536 ' HA ' ' OG1' ' A' ' 60' ' ' THR . 1.7 mp0 -62.49 -38.58 90.43 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.369 0.604 . . . . 0.0 110.492 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -82.36 70.73 9.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.092 -175.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -96.92 -41.16 8.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.056 0.455 . . . . 0.0 110.087 176.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.527 ' CB ' ' HB3' ' A' ' 58' ' ' GLU . 16.9 m -133.97 149.04 51.22 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.758 -177.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.572 ' O ' ' HG2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -81.71 85.99 6.5 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.138 -174.49 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.572 ' HG2' ' O ' ' A' ' 55' ' ' ARG . 10.4 ptp180 70.28 -25.73 0.16 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.639 1.176 . . . . 0.0 112.731 174.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -67.75 -29.9 69.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.241 0.543 . . . . 0.0 110.018 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.527 ' HB3' ' CB ' ' A' ' 54' ' ' THR . 34.7 tt0 -148.05 136.96 21.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.986 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.437 HD23 ' H ' ' A' ' 59' ' ' LEU . 2.5 pt? -137.32 140.68 41.66 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.536 ' OG1' ' HA ' ' A' ' 51' ' ' GLU . 76.9 p -87.72 104.04 16.17 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.841 0.353 . . . . 0.0 111.007 -178.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.32 168.89 10.19 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 176.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -104.47 143.93 32.36 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.248 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -160.43 162.05 33.13 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 -174.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -53.25 -47.19 69.28 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 121.246 -0.182 . . . . 0.0 110.783 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -61.1 -40.7 94.71 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 123.075 0.234 . . . . 0.0 110.834 -175.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.83 -47.51 74.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.21 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.35 -37.62 88.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.238 0.542 . . . . 0.0 110.368 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.533 ' O ' ' HG2' ' A' ' 72' ' ' GLN . 17.7 t70 -65.65 -40.79 92.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.041 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.03 84.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.097 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.25 -32.93 74.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.056 0.455 . . . . 0.0 110.194 176.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.477 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -61.91 -48.89 78.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.84 173.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 29.3 mm-40 -57.35 -41.57 80.33 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.404 178.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -54.7 -42.39 71.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.191 177.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.41 HE21 ' HB2' ' A' ' 74' ' ' GLN . 17.9 mt-30 -88.48 6.94 35.36 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.619 -177.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.1 23.53 77.83 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.211 179.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 43.3 mt -117.77 172.09 7.61 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -178.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -139.09 168.58 19.52 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 172.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.3 t -78.2 108.75 12.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.883 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.455 ' HB ' ' HB2' ' A' ' 37' ' ' ASN . 27.1 m -91.1 -12.29 9.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.288 -176.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 173.94 -176.31 46.43 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.068 -1.063 . . . . 0.0 113.326 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.1 t -134.34 158.11 41.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 -179.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -132.96 151.36 52.07 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.244 0.545 . . . . 0.0 111.39 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -124.41 153.67 41.56 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.171 -178.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.1 m -103.51 130.71 50.95 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 173.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.626 ' HB3' ' O ' ' A' ' 88' ' ' HIS . 2.1 m170 -117.39 85.86 20.94 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -173.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.445 ' HB3' ' OH ' ' A' ' 19' ' ' TYR . 94.2 Cg_endo -93.43 -5.81 2.76 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 122.737 2.291 . . . . 0.0 111.579 169.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -90.66 -42.03 10.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.687 -1.142 . . . . 0.0 110.581 -176.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.626 ' O ' ' HB3' ' A' ' 85' ' ' HIS . 20.3 m80 -147.26 165.31 19.36 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.74 -166.36 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.998 2.466 . . . . 0.0 114.005 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.73 11.76 2.43 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -168.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 91' ' ' ARG . 39.0 mtm180 -101.63 147.72 34.23 Favored Pre-proline 0 C--N 1.32 -0.711 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.154 174.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -62.2 131.7 35.62 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 123.032 2.488 . . . . 0.0 112.687 -177.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.9 m -96.02 -175.05 3.28 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.433 177.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.47 -40.09 85.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.63 0.252 . . . . 0.0 110.907 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.7 p -64.98 -40.45 94.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.492 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -63.29 -39.14 93.76 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.092 0.473 . . . . 0.0 109.962 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -45.87 83.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.536 176.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -70.88 -26.49 63.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.028 -0.987 . . . . 0.0 112.386 -176.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -95.65 20.74 9.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.216 0.532 . . . . 0.0 110.789 176.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -106.45 108.79 20.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.675 177.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.629 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 5.8 t -135.54 3.08 3.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.561 0.696 . . . . 0.0 110.723 -178.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.619 ' HB3' ' CD1' ' A' ' 105' ' ' PHE . 93.7 m-85 -107.57 88.64 4.36 Favored Pre-proline 0 C--N 1.315 -0.918 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.579 -178.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.629 ' HD3' ' O ' ' A' ' 101' ' ' THR . 5.8 Cg_exo -76.98 64.37 7.72 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.011 2.474 . . . . 0.0 112.123 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 171.46 27.62 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.89 178.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.619 ' CD1' ' HB3' ' A' ' 102' ' ' PHE . 35.9 m-85 -132.38 154.06 50.16 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -177.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.6 m -92.69 116.97 29.49 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.858 0.361 . . . . 0.0 110.358 177.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -93.13 108.27 19.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.792 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 89.1 t -96.17 125.73 48.95 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 121.303 0.573 . . . . 0.0 110.506 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 76.7 mt -121.08 117.91 54.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.625 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.16 128.58 72.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 121.59 0.709 . . . . 0.0 110.915 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.4 t -82.22 106.44 14.12 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.597 175.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 57.4 t -114.89 117.04 54.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -104.16 90.77 3.68 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.397 0.618 . . . . 0.0 110.88 -177.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 19.5 t70 56.53 45.65 21.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.312 -1.313 . . . . 0.0 111.215 176.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 101.74 -13.65 57.8 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.422 177.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -92.83 115.59 65.13 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 120.434 0.159 . . . . 0.0 111.254 -179.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_exo -71.41 104.21 1.53 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.879 2.386 . . . . 0.0 110.952 175.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -93.66 -68.92 0.77 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.435 -173.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.27 122.88 25.87 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -177.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.0 tt -108.17 123.08 48.2 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.3 m -140.13 155.9 46.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.938 0.399 . . . . 0.0 110.089 -179.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -124.96 146.91 49.15 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 76.7 m95 -132.79 139.4 47.51 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.794 -175.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.59 128.72 52.67 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.687 176.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 63.4 tp -83.97 134.65 34.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.896 0.379 . . . . 0.0 110.356 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . . . -68.46 148.09 98.14 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.423 176.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 126' ' ' ALA . 32.1 Cg_exo -59.67 -26.38 81.95 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.912 2.408 . . . . 0.0 112.718 -178.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -86.24 -11.3 52.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.33 178.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 65.58 21.39 11.72 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.585 -173.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 7.7 p -68.11 -37.39 81.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.433 -178.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -162.67 175.44 11.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.145 0.498 . . . . 0.0 110.668 -178.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -106.55 153.96 21.57 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.385 174.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -124.1 138.53 54.42 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 176.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 134' ' ' ARG . 4.3 ttp180 -68.66 126.42 29.65 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.334 0.587 . . . . 0.0 110.462 178.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.08 166.07 14.69 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.869 -178.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -118.38 139.91 50.65 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.944 -177.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 49.5 mm -96.63 113.46 31.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.964 0.411 . . . . 0.0 110.26 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.483 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 3.4 m -133.74 154.16 37.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.67 -179.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -83.09 144.33 47.13 Favored Pre-proline 0 N--CA 1.448 -0.555 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -69.38 121.77 8.55 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 121.671 1.581 . . . . 0.0 110.128 169.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.472 ' C ' ' H ' ' A' ' 143' ' ' GLU . 6.2 t70 -48.45 136.37 12.47 Favored Pre-proline 0 N--CA 1.467 0.399 0 O-C-N 123.534 0.521 . . . . 0.0 110.738 -175.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 141' ' ' ASP . 27.9 Cg_exo -64.58 27.69 0.08 OUTLIER 'Trans proline' 0 N--CA 1.478 0.576 0 C-N-CA 123.842 3.028 . . . . 0.0 114.634 -176.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.472 ' H ' ' C ' ' A' ' 141' ' ' ASP . 39.6 mt-10 -100.64 -51.83 3.49 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 166.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . 39.83 66.07 3.34 Favored Pre-proline 0 C--O 1.233 0.206 0 CA-C-N 114.538 -1.21 . . . . 0.0 111.088 -177.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -84.09 156.86 13.17 Favored 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 122.786 2.324 . . . . 0.0 113.085 -172.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 6.9 mp -88.9 -177.93 5.61 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.545 176.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.492 ' H ' ' CD ' ' A' ' 147' ' ' GLU . 7.3 mp0 -64.27 -24.1 67.54 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 121.272 0.558 . . . . 0.0 110.493 177.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -145.04 141.09 28.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.757 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -89.55 98.13 11.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.988 0.423 . . . . 0.0 109.976 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -109.26 118.29 36.32 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.318 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -74.86 151.61 38.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.25 177.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -72.63 -36.34 68.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.783 -175.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.486 -0.769 . . . . 0.0 109.771 175.82 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 138' ' ' VAL . 1.1 mptm? -113.99 119.04 35.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.056 0.455 . . . . 0.0 110.546 -179.36 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.5 t -159.29 174.1 15.3 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.293 -177.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.6 p -101.79 159.17 30.21 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.885 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.484 ' HA ' HD12 ' A' ' 8' ' ' LEU . 9.6 Cg_endo -53.87 -29.36 52.86 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.269 2.646 . . . . 0.0 111.77 176.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.48 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 1.8 m-20 -55.16 -49.63 71.36 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.047 176.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.46 ' O ' HG12 ' A' ' 11' ' ' ILE . 45.9 mm -66.95 -41.57 87.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.337 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 5' ' ' PRO . 89.7 mt -55.77 -46.4 77.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.924 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.441 ' O ' HG23 ' A' ' 13' ' ' VAL . 33.9 t70 -69.25 -41.31 77.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.996 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.48 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 47.9 mt-30 -58.52 -34.76 71.33 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.253 178.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.639 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 41.3 mm -62.42 -43.9 98.7 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 121.16 0.505 . . . . 0.0 109.876 174.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.9 mtp85 -60.91 -45.15 95.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.983 177.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 9' ' ' ASP . 86.1 t -61.46 -50.26 81.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.713 -176.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.639 ' CD2' ' HA ' ' A' ' 11' ' ' ILE . 12.2 p80 -67.1 -27.86 67.69 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.792 -178.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.05 -49.16 68.95 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.782 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.414 ' HB2' ' HG3' ' A' ' 117' ' ' PRO . . . -69.38 -31.02 69.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.989 0.423 . . . . 0.0 110.678 178.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -66.26 -38.89 88.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.303 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.19 -27.77 22.81 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.958 -177.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.718 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 1.9 t80 -55.24 148.35 31.6 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.862 -177.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.718 ' HA ' ' CG ' ' A' ' 19' ' ' TYR . 89.5 Cg_endo -80.06 -3.76 40.8 Favored 'Cis proline' 0 C--N 1.351 0.69 0 C-N-CA 124.171 -1.179 . . . . 0.0 113.816 4.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -71.26 147.93 47.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.457 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -77.52 77.54 4.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.187 0.518 . . . . 0.0 111.398 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.61 100.33 0.74 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.917 176.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 59.3 m -110.81 176.02 5.19 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.946 0.403 . . . . 0.0 110.989 -175.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 174.7 -158.03 25.78 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.036 -178.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -120.3 152.09 38.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.844 0.354 . . . . 0.0 111.096 -175.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.1 mt -100.07 123.33 44.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.688 176.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.475 HD22 ' HB2' ' A' ' 71' ' ' ALA . 70.3 mt -105.08 131.97 51.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.243 0.544 . . . . 0.0 110.417 -177.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.15 -157.3 16.17 Favored Glycine 0 N--CA 1.441 -0.98 0 N-CA-C 111.456 -0.657 . . . . 0.0 111.456 -178.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.452 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 1.3 p -136.51 148.73 47.78 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.751 0.31 . . . . 0.0 111.506 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 36' ' ' ASP . 62.2 t -98.19 131.88 44.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 173.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.1 p -73.38 176.61 5.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.833 0.349 . . . . 0.0 111.011 -177.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -67.28 -28.25 67.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.186 177.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -87.38 -12.3 46.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.686 -177.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.86 16.44 13.92 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.518 -0.849 . . . . 0.0 113.105 175.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.504 ' O ' ' HA ' ' A' ' 31' ' ' VAL . 11.6 m-20 -76.95 139.8 40.26 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 117.048 0.424 . . . . 0.0 110.57 176.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -102.4 108.69 20.11 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.499 175.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 30' ' ' THR . 7.8 ptm180 -110.31 136.5 49.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.269 0.557 . . . . 0.0 109.864 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.5 t -107.82 121.21 60.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.957 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.302 -178.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.91 -30.41 7.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.611 -177.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.1 154.17 51.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.339 . . . . 0.0 111.354 -176.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.3 mt -116.33 148.39 40.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.7 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -133.67 122.13 22.98 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.474 176.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 -90.22 140.25 29.86 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.751 176.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.06 98.15 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.054 0.454 . . . . 0.0 110.706 178.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.8 m -144.61 146.11 32.13 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.74 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.795 ' HA ' ' HB1' ' A' ' 61' ' ' ALA . 1.3 p30 -76.61 106.56 8.33 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.476 0.655 . . . . 0.0 111.209 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 68.1 ttt180 -74.07 94.37 2.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.376 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 -89.86 99.61 12.59 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.753 0.787 . . . . 0.0 109.798 174.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.5 t -100.81 -160.11 0.78 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.863 -176.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 0.3 OUTLIER -76.06 146.13 39.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.06 0.457 . . . . 0.0 110.842 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.425 ' O ' ' HB2' ' A' ' 53' ' ' ARG . 20.7 mm-40 -92.16 178.09 5.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.111 178.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 52' ' ' GLN . 96.0 mtt180 68.64 8.03 6.46 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 122.835 0.454 . . . . 0.0 111.582 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.7 t -87.17 6.22 34.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.129 -176.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.447 HH11 ' HD2' ' A' ' 55' ' ' ARG . 23.8 mtp85 63.66 -170.48 0.18 Allowed 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -176.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.465 ' HA ' ' HD3' ' A' ' 56' ' ' ARG . 6.9 mmt180 59.1 59.24 2.82 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.936 0.398 . . . . 0.0 111.962 176.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.514 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 96.0 m-85 -84.2 -164.85 1.01 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.224 178.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.514 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 5.2 mm-40 71.31 14.82 6.45 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.785 0.802 . . . . 0.0 109.655 -170.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.45 ' O ' HD12 ' A' ' 59' ' ' LEU . 2.3 pp -66.11 143.22 57.44 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.304 179.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.7 m -125.05 106.04 9.63 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.12 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.795 ' HB1' ' HA ' ' A' ' 47' ' ' ASN . . . -79.58 167.57 20.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.925 -177.088 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 71.35 -44.73 0.6 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.648 0.779 . . . . 0.0 111.478 -177.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.402 ' CG ' ' H ' ' A' ' 64' ' ' TYR . 5.5 t70 -85.74 -167.8 1.99 Allowed 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.417 -173.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.402 ' H ' ' CG ' ' A' ' 63' ' ' ASP . 71.5 t80 -59.71 -43.29 94.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.618 -172.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -53.98 -37.14 63.66 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -173.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.39 -41.43 63.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.88 0.372 . . . . 0.0 111.29 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.52 -34.69 76.32 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.179 177.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -58.38 -46.51 86.2 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.872 177.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.87 -49.6 56.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.217 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.39 -32.96 72.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.186 -178.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.475 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -62.72 -51.91 65.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.438 177.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -64.71 -36.28 83.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.733 -178.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.3 -36.52 78.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.156 0.503 . . . . 0.0 111.251 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -86.42 -3.29 58.98 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.078 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.07 26.52 52.64 Favored Glycine 0 N--CA 1.454 -0.164 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.426 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 74.9 mt -127.65 -178.21 4.39 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -143.09 176.85 8.79 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 173.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.7 t -82.06 101.92 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.966 0.413 . . . . 0.0 110.148 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.6 m -94.95 -17.24 7.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -178.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.535 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -165.17 172.12 40.71 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 119.996 -1.097 . . . . 0.0 113.158 -178.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' A' ' 107' ' ' TYR . 9.7 t -135.16 157.77 40.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 177.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -137.43 145.5 43.24 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.249 -0.58 . . . . 0.0 111.564 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 66.1 m170 -122.62 147.18 46.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.586 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -107.37 141.83 38.12 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 176.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.406 ' O ' ' HE1' ' A' ' 19' ' ' TYR . 20.1 m170 -106.98 140.42 21.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.414 178.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -98.49 -3.65 0.97 Allowed 'Trans proline' 0 N--CA 1.451 -0.986 0 C-N-CA 123.285 2.657 . . . . 0.0 112.086 173.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -151.82 136.34 16.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.332 -173.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 25.1 m80 66.07 160.5 0.13 Allowed Pre-proline 0 N--CA 1.471 0.605 0 O-C-N 123.886 0.742 . . . . 0.0 112.051 -178.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.32 -172.11 0.22 Allowed 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.134 2.556 . . . . 0.0 113.492 -178.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.458 ' HB2' ' HB2' ' A' ' 111' ' ' SER . . . -83.46 80.99 8.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.489 -177.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.508 ' HD3' ' CZ2' ' A' ' 123' ' ' TRP . 22.0 mmt180 -144.27 149.37 44.6 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 174.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -62.09 125.51 16.6 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.376 2.05 . . . . 0.0 113.11 -176.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.8 t -97.59 178.68 5.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.351 177.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.478 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -66.53 -49.51 66.26 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -173.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.8 m -77.86 -32.77 52.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.356 0.598 . . . . 0.0 109.685 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -59.47 -38.89 81.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.035 177.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.405 HD13 ' C ' ' A' ' 97' ' ' LEU . 3.3 tm? -69.19 -45.3 70.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.198 174.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 52.8 mt-10 -64.57 -26.05 68.24 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -175.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -80.47 4.5 18.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.853 0.358 . . . . 0.0 111.134 177.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -132.85 81.58 1.95 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.95 0.405 . . . . 0.0 110.614 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.5 t -110.32 2.78 19.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 122.197 0.999 . . . . 0.0 109.901 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -108.85 89.16 6.11 Favored Pre-proline 0 C--N 1.315 -0.923 0 CA-C-N 114.347 -1.297 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.54 ' HA ' HD23 ' A' ' 125' ' ' LEU . 43.2 Cg_endo -67.39 143.8 65.11 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.757 2.305 . . . . 0.0 112.594 -177.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.26 -43.48 0.73 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.158 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.535 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 61.8 m-85 -88.95 162.15 16.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.006 0.431 . . . . 0.0 110.993 -178.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.6 m -92.25 122.99 35.25 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 172.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.458 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 98.8 m-85 -102.47 114.33 28.43 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.143 0.497 . . . . 0.0 110.882 -174.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.1 t -98.66 126.34 51.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.949 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.1 mt -110.04 126.8 67.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 175.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.9 p -103.62 133.73 46.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.241 0.543 . . . . 0.0 110.751 -177.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.458 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 20.4 t -91.28 107.2 19.04 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.853 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 40.9 t -124.66 122.24 63.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 176.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 43.7 mtm105 -117.78 95.33 4.88 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.145 0.498 . . . . 0.0 110.941 -177.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.407 ' HA ' ' HE2' ' A' ' 19' ' ' TYR . 29.0 t70 49.33 74.92 0.17 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 114.584 -1.189 . . . . 0.0 111.693 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.415 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 81.17 -20.93 6.3 Favored Glycine 0 CA--C 1.521 0.413 0 CA-C-N 115.75 -0.659 . . . . 0.0 113.445 177.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -96.29 111.24 56.02 Favored Pre-proline 0 C--N 1.328 -0.351 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -176.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 5.8 Cg_exo -78.7 111.63 3.01 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 123.054 2.503 . . . . 0.0 110.757 173.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -88.67 -78.88 0.32 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.814 -173.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -144.71 159.15 43.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.136 0.493 . . . . 0.0 111.587 -172.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.533 HD21 ' HB ' ' A' ' 11' ' ' ILE . 6.9 mp -103.57 133.13 49.11 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.934 178.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.401 ' OG1' ' HB1' ' A' ' 90' ' ' ALA . 63.5 p -121.35 129.31 53.0 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 173.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.92 136.7 48.79 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.541 ' HB3' ' HB3' ' A' ' 132' ' ' PHE . 54.3 m95 -129.32 142.13 50.91 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.255 -176.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.4 127.68 52.11 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 174.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.54 HD23 ' HA ' ' A' ' 103' ' ' PRO . 43.6 tp -80.18 119.02 22.39 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.97 149.47 81.27 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.307 -178.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.77 -25.64 52.69 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.607 2.204 . . . . 0.0 111.88 177.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -74.23 -11.16 60.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.993 179.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 45.61 29.83 0.7 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.467 1.107 . . . . 0.0 112.632 -178.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 6.4 t -101.07 -20.31 15.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.986 0.422 . . . . 0.0 110.466 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -158.15 172.01 19.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.017 0.437 . . . . 0.0 110.935 -176.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.541 ' HB3' ' HB3' ' A' ' 123' ' ' TRP . 57.0 m-85 -106.83 155.09 20.1 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.397 172.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 61.5 m-70 -124.49 139.14 54.16 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 172.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -65.66 130.7 44.2 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.044 -176.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.53 167.3 10.22 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.16 179.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -118.76 137.62 53.24 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.276 0.56 . . . . 0.0 111.321 -173.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 38.3 mm -90.4 114.76 28.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.029 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.475 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 1.4 t -126.36 155.88 36.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.841 -178.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.409 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 78.5 mtp180 -87.44 144.33 35.53 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.61 -178.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 139' ' ' ARG . 3.5 Cg_exo -74.04 103.61 1.7 Allowed 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 122.925 2.416 . . . . 0.0 111.674 175.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -75.01 133.65 75.46 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.123 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -72.65 29.5 0.28 Allowed 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.135 2.557 . . . . 0.0 114.63 -173.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -116.61 -6.45 11.63 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 121.332 0.587 . . . . 0.0 109.659 170.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -90.68 130.69 40.14 Favored Pre-proline 0 N--CA 1.447 -0.604 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 173.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -43.16 127.46 5.24 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.364 2.709 . . . . 0.0 112.756 -176.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.477 HD13 ' H ' ' A' ' 146' ' ' LEU . 0.0 OUTLIER -96.77 -179.42 4.57 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.542 -175.685 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.481 ' HG2' ' HB2' ' A' ' 149' ' ' HIS . 43.6 tt0 -66.99 139.23 57.67 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.263 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -77.98 72.52 4.51 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 176.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . 0.481 ' HB2' ' HG2' ' A' ' 147' ' ' GLU . 6.8 t60 -135.98 127.98 29.59 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.744 -173.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -135.55 100.5 4.51 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.935 0.398 . . . . 0.0 110.378 176.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -140.74 105.99 5.03 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 177.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 27.2 p80 -88.33 28.9 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.357 -177.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.603 -0.713 . . . . 0.0 109.265 -179.499 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.633 0.254 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.528 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 13.9 mptt -108.27 123.55 48.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.102 0.477 . . . . 0.0 111.09 176.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.4 t -159.39 173.89 15.56 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.526 177.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 51.8 p -102.78 152.18 38.42 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.646 0.26 . . . . 0.0 110.849 -178.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.432 ' HA ' ' HB2' ' A' ' 8' ' ' LEU . 12.5 Cg_endo -58.11 -27.68 80.84 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.915 2.41 . . . . 0.0 111.524 175.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -57.22 -44.81 84.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.739 175.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.461 ' O ' HG13 ' A' ' 11' ' ' ILE . 49.4 mm -75.27 -39.03 41.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.282 177.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.432 ' HB2' ' HA ' ' A' ' 5' ' ' PRO . 86.8 mt -56.98 -47.47 80.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.016 -178.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.413 ' O ' HG23 ' A' ' 13' ' ' VAL . 20.7 t70 -64.86 -38.27 90.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.871 0.367 . . . . 0.0 110.224 -178.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -59.32 -30.8 68.61 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.216 175.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 7' ' ' ILE . 63.8 mt -65.11 -42.69 95.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 175.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.453 ' HB3' ' CB ' ' A' ' 117' ' ' PRO . 29.3 mtm180 -63.19 -40.67 98.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.504 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 9' ' ' ASP . 89.3 t -56.71 -45.05 82.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.943 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 48.4 m80 -58.8 -38.27 78.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.344 -179.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.61 -48.26 63.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.426 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.57 -29.04 63.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 111.224 -178.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -73.71 -38.36 64.86 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.229 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.734 ' O ' ' HG2' ' A' ' 21' ' ' GLU . . . -84.28 -29.22 26.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.316 -0.857 . . . . 0.0 112.578 -174.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.466 ' CE2' ' HA ' ' A' ' 114' ' ' ASP . 41.3 t80 -46.41 135.79 7.32 Favored Pre-proline 0 N--CA 1.469 0.476 0 O-C-N 123.106 0.254 . . . . 0.0 111.056 -175.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.443 ' HA ' ' CG ' ' A' ' 19' ' ' TYR . 25.6 Cg_endo -91.27 -3.76 52.42 Favored 'Cis proline' 0 N--CA 1.46 -0.487 0 C-N-CA 124.19 -1.171 . . . . 0.0 114.445 4.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.734 ' HG2' ' O ' ' A' ' 18' ' ' ALA . 11.5 pt-20 -71.53 163.81 27.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 110.905 -175.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -75.01 98.79 3.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.066 0.46 . . . . 0.0 110.79 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.482 ' HA3' ' CB ' ' A' ' 18' ' ' ALA . . . -105.11 27.72 17.49 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.699 177.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.419 ' HB3' ' HA ' ' A' ' 83' ' ' HIS . 6.0 p -74.43 172.69 11.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.518 -0.341 . . . . 0.0 110.814 -179.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -171.68 -158.81 16.52 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.302 -0.952 . . . . 0.0 112.782 -179.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.476 ' HA ' ' HA ' ' A' ' 81' ' ' VAL . 89.8 m-85 -114.98 156.51 24.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.883 0.373 . . . . 0.0 110.529 -175.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.458 HD11 HG23 ' A' ' 108' ' ' VAL . 78.9 mt -94.07 119.68 33.27 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.595 179.007 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.43 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 76.9 mt -104.64 135.29 46.31 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.963 0.411 . . . . 0.0 109.909 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.457 ' HA3' ' O ' ' A' ' 38' ' ' ARG . . . -177.03 -150.04 8.11 Favored Glycine 0 N--CA 1.439 -1.104 0 C-N-CA 120.522 -0.847 . . . . 0.0 111.604 179.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.9 p -135.14 153.46 51.98 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.741 0.305 . . . . 0.0 110.526 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.2 t -90.81 118.93 37.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 175.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.0 p -79.3 173.44 12.58 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 -176.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -65.67 -16.28 63.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.469 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -66.98 -30.75 70.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.474 176.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.88 13.26 55.32 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 -173.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -100.68 169.13 9.24 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.522 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 3.0 m-20 -102.78 108.43 19.66 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -176.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.528 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 12.4 ttp180 -96.35 110.39 22.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.526 -177.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.9 t -85.31 124.24 39.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.292 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.21 -20.71 6.11 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.558 -178.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.43 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -139.87 154.64 47.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.897 0.38 . . . . 0.0 111.403 -178.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.4 mt -118.79 127.5 53.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.289 -179.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -123.51 121.6 36.07 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.164 -0.309 . . . . 0.0 110.164 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -73.35 139.26 45.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.274 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.61 62.36 1.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.398 0.618 . . . . 0.0 110.426 177.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.5 m -156.21 142.63 18.45 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.167 -0.924 . . . . 0.0 108.872 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.805 ' HB2' HG22 ' A' ' 60' ' ' THR . 9.2 p30 -63.32 145.99 54.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.145 0.497 . . . . 0.0 110.785 178.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -101.35 106.24 17.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.564 -177.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -69.52 104.66 2.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.313 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.1 t -163.38 161.66 24.55 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.205 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -87.09 138.02 31.85 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 167.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.62 ' HB2' ' HB3' ' A' ' 56' ' ' ARG . 10.4 pt20 -64.69 132.4 49.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.31 0.576 . . . . 0.0 111.406 -173.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -82.05 59.64 4.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.088 -178.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 95.8 m 63.92 106.14 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.061 -178.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.415 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 16.4 mmt180 65.01 81.61 0.2 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.548 177.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.62 ' HB3' ' HB2' ' A' ' 52' ' ' GLN . 43.4 ttt85 -151.97 139.89 20.04 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.332 176.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -69.97 -50.92 37.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 123.131 0.27 . . . . 0.0 110.853 -177.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 52.01 51.77 15.77 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.892 0.745 . . . . 0.0 110.367 -178.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 tt -71.48 100.87 2.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.658 -178.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.805 HG22 ' HB2' ' A' ' 47' ' ' ASN . 7.4 p -86.31 70.72 10.53 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.143 0.497 . . . . 0.0 111.751 -176.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.14 -18.86 7.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.819 175.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 68.32 14.51 9.2 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.819 0.7 . . . . 0.0 111.392 177.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -101.94 -168.44 1.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.389 -179.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -57.36 -40.35 77.93 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.874 178.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -56.15 -38.05 70.33 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.216 0.322 . . . . 0.0 111.776 -177.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.56 -39.46 81.02 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.775 0.322 . . . . 0.0 111.174 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.69 -39.59 76.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.997 0.427 . . . . 0.0 110.143 176.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -66.12 -44.45 84.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.783 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.5 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -60.88 -53.64 54.89 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.029 -178.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.94 -34.53 77.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.123 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.401 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -62.68 -48.88 77.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.092 176.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.935 ' HB3' ' HB3' ' A' ' 153' ' ' HIS . 28.0 mm-40 -67.57 -32.5 73.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.516 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 50.3 mt-10 -60.97 -39.4 89.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.11 0.481 . . . . 0.0 110.8 174.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -82.69 -29.98 29.53 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.66 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.3 26.16 6.71 Favored Glycine 0 C--O 1.229 -0.209 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.098 -178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 70.3 mt -126.51 177.65 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -134.52 175.02 9.91 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 173.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.415 HG13 ' HB3' ' A' ' 26' ' ' PHE . 20.8 t -85.04 103.84 12.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.423 -176.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.522 ' HB ' ' HB3' ' A' ' 37' ' ' ASN . 27.2 m -100.39 4.99 10.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.741 -175.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.401 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . 170.3 -172.11 43.84 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 119.795 -1.193 . . . . 0.0 112.906 178.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.476 ' HA ' ' HA ' ' A' ' 26' ' ' PHE . 2.9 t -138.85 150.88 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -136.93 136.69 38.82 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.419 ' HA ' ' HB3' ' A' ' 24' ' ' CYS . 28.8 p-80 -147.94 137.05 22.13 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.96 0.41 . . . . 0.0 111.274 -177.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 m -106.76 138.44 42.93 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.487 -177.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 1.4 p80 -166.9 142.08 3.46 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.109 170.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 5.2 Cg_endo -88.88 116.39 0.8 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 123.554 2.836 . . . . 0.0 110.162 171.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -165.5 -55.18 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.418 0.628 . . . . 0.0 110.696 -169.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -141.35 154.73 67.52 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.001 178.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -67.43 84.0 0.37 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.731 2.287 . . . . 0.0 113.56 -171.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 58.52 23.13 10.45 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.302 175.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.556 ' HD3' ' O ' ' A' ' 92' ' ' PRO . 0.2 OUTLIER -127.07 152.25 75.48 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 175.34 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.556 ' O ' ' HD3' ' A' ' 91' ' ' ARG . 14.2 Cg_endo -55.94 154.84 25.42 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 123.078 2.519 . . . . 0.0 112.903 -177.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.5 t -97.34 -175.84 3.34 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -60.49 -43.25 97.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.01 0.433 . . . . 0.0 109.846 176.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.8 m -61.3 -39.56 90.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.103 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.414 ' OD2' ' NE2' ' A' ' 83' ' ' HIS . 6.1 m-20 -59.76 -43.45 94.31 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.212 178.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.34 -45.01 81.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.773 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 44.0 mt-10 -60.44 -39.02 85.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.309 -0.86 . . . . 0.0 112.717 -176.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -109.79 20.67 17.8 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -172.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -108.3 103.41 12.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.987 0.423 . . . . 0.0 110.548 174.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.9 m -142.79 20.52 1.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.187 0.518 . . . . 0.0 110.603 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -130.59 86.45 52.94 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.273 0.558 . . . . 0.0 111.319 -178.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.41 177.64 3.76 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 123.151 2.567 . . . . 0.0 112.169 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 90.33 -22.13 28.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.73 -177.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.401 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 89.8 m-85 -100.8 143.07 31.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.262 -0.469 . . . . 0.0 109.838 175.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.1 m -91.34 123.99 35.2 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -93.78 109.03 20.72 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.339 -178.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.458 HG23 HD11 ' A' ' 27' ' ' LEU . 63.3 t -95.22 116.84 37.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-O 121.229 0.538 . . . . 0.0 110.117 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.8 mt -110.98 117.97 56.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.197 177.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.652 ' HB ' HD23 ' A' ' 120' ' ' LEU . 2.8 p -110.12 134.65 51.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.259 -179.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.517 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 29.7 t -81.34 107.36 14.06 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.151 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 65.9 t -112.98 116.61 53.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -108.97 87.65 2.54 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.447 -176.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.466 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 35.7 t70 67.69 -71.79 0.1 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 114.828 -1.078 . . . . 0.0 111.468 179.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -134.51 6.41 4.56 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.598 -0.81 . . . . 0.0 111.82 178.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -115.27 110.79 45.01 Favored Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -176.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.453 ' CB ' ' HB3' ' A' ' 12' ' ' ARG . 7.5 Cg_exo -73.42 101.71 1.39 Allowed 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.725 2.283 . . . . 0.0 110.627 171.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.517 ' HB3' ' HB3' ' A' ' 111' ' ' SER . 42.5 tt0 -74.25 -70.38 0.4 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.666 -172.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -142.83 146.59 34.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.007 0.432 . . . . 0.0 112.163 -174.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.652 HD23 ' HB ' ' A' ' 110' ' ' VAL . 68.6 mt -100.47 122.2 42.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.092 174.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 38.5 p -129.78 132.54 46.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.775 0.322 . . . . 0.0 110.467 176.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.85 135.04 51.37 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.277 0.561 . . . . 0.0 110.499 -178.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.401 ' CZ2' ' HD3' ' A' ' 134' ' ' ARG . 73.1 m95 -123.44 140.53 52.91 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.102 -174.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -111.28 127.63 55.69 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.461 173.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 55.8 tp -80.5 120.97 25.18 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . . . -58.73 132.47 86.17 Favored Pre-proline 0 N--CA 1.447 -0.576 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.462 176.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 126' ' ' ALA . 53.1 Cg_exo -56.32 -26.36 61.55 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.605 2.203 . . . . 0.0 111.57 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.12 -18.34 65.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.91 176.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 45.4 mtm180 60.08 41.53 17.06 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.294 0.568 . . . . 0.0 110.811 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.3 t -103.14 -32.66 9.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.725 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -168.96 178.8 4.35 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.564 -174.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -105.19 152.73 22.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.432 173.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -123.78 138.01 54.58 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 173.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.401 ' HD3' ' CZ2' ' A' ' 123' ' ' TRP . 2.7 ttp180 -86.17 126.74 34.46 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.506 -178.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -112.23 149.05 32.83 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.497 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -84.72 140.8 31.02 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.875 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 66.8 mt -83.81 115.18 25.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.469 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 1.5 t -108.66 155.33 9.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.077 -174.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -105.78 129.65 24.29 Favored Pre-proline 0 C--N 1.311 -1.068 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.018 -176.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.67 140.3 61.54 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.375 2.05 . . . . 0.0 111.831 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.511 ' C ' ' H ' ' A' ' 143' ' ' GLU . 19.2 m-20 -68.03 158.94 82.27 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.232 177.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -73.34 19.78 0.37 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.594 2.196 . . . . 0.0 111.912 175.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.511 ' H ' ' C ' ' A' ' 141' ' ' ASP . 29.7 mt-10 -138.94 76.4 1.57 Allowed 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.312 -1.313 . . . . 0.0 108.674 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.448 ' HA ' ' HD3' ' A' ' 145' ' ' PRO . . . -92.09 141.67 25.47 Favored Pre-proline 0 C--N 1.312 -1.055 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.539 -173.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 144' ' ' ALA . 26.5 Cg_exo -61.44 136.4 63.37 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.625 2.217 . . . . 0.0 111.356 175.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 88.9 mt -95.31 134.21 38.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.045 0.45 . . . . 0.0 111.318 -174.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.98 161.77 13.44 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 173.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -99.59 -99.93 0.23 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -157.39 109.32 2.38 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 122.611 0.364 . . . . 0.0 110.223 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -92.06 -55.84 3.29 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.995 177.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -152.0 161.12 43.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.847 0.356 . . . . 0.0 111.099 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -118.95 -175.11 2.84 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 173.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . 0.935 ' HB3' ' HB3' ' A' ' 72' ' ' GLN . 40.5 p-80 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.744 -0.646 . . . . 0.0 109.435 172.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ttt . . . . . 0 N--CA 1.483 1.207 0 CA-C-O 120.77 0.319 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -107.26 135.75 48.24 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 174.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.426 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 14.6 t -150.97 171.77 16.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.635 0.255 . . . . 0.0 110.678 -177.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.42 ' OG1' HG12 ' A' ' 7' ' ' ILE . 46.4 p -106.96 151.72 40.73 Favored Pre-proline 0 N--CA 1.449 -0.499 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.539 -178.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -57.47 -27.76 77.71 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.652 2.235 . . . . 0.0 111.384 175.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.421 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 21.5 t70 -60.08 -44.91 94.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.933 177.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.579 ' O ' HG12 ' A' ' 11' ' ' ILE . 40.7 mm -62.45 -45.4 98.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.749 178.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.575 HD11 HG21 ' A' ' 137' ' ' ILE . 83.1 mt -62.58 -37.81 87.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.138 -179.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.632 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 16.1 t70 -67.24 -42.55 83.8 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 178.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 49.9 mt-30 -60.71 -30.7 70.11 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.844 175.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.579 HG12 ' O ' ' A' ' 7' ' ' ILE . 42.5 mm -62.34 -46.7 95.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.77 177.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.632 ' HG2' ' O ' ' A' ' 9' ' ' ASP . 25.7 ptt180 -65.93 -31.36 72.24 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.1 178.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 9' ' ' ASP . 99.2 t -68.87 -47.38 76.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.774 178.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.523 ' HD2' ' HA ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -61.78 -28.32 69.37 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 121.134 -0.226 . . . . 0.0 110.704 -177.297 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.45 ' O ' ' HB2' ' A' ' 19' ' ' TYR . . . -66.45 -49.76 54.29 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.112 179.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.83 -34.34 64.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.756 0.312 . . . . 0.0 111.049 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -71.04 -39.46 72.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.19 0.519 . . . . 0.0 111.928 -175.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.488 ' HB1' ' HA3' ' A' ' 23' ' ' GLY . . . -85.69 -27.78 25.1 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.751 -176.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.567 ' CG ' ' HA ' ' A' ' 20' ' ' PRO . 0.1 OUTLIER -60.15 150.17 72.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.795 -178.592 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.567 ' HA ' ' CG ' ' A' ' 19' ' ' TYR . 88.4 Cg_endo -83.22 -3.49 53.38 Favored 'Cis proline' 0 C--N 1.345 0.382 0 C-N-CA 123.811 -1.329 . . . . 0.0 113.591 3.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.69 161.41 30.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.189 0.519 . . . . 0.0 111.435 -177.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -77.17 94.91 4.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.569 -177.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.488 ' HA3' ' HB1' ' A' ' 18' ' ' ALA . . . -114.98 77.54 0.26 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.424 179.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.3 m -86.23 -164.69 1.08 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -177.93 -177.44 46.71 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 119.793 -1.194 . . . . 0.0 113.151 178.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -118.77 154.19 33.21 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.693 0.283 . . . . 0.0 110.473 -177.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.476 HD11 HG23 ' A' ' 108' ' ' VAL . 75.5 mt -94.32 118.71 32.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.013 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.618 HD22 ' HB2' ' A' ' 71' ' ' ALA . 58.2 mt -104.75 134.52 47.76 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.92 -154.96 13.59 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 120.294 -0.955 . . . . 0.0 112.318 -178.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 p -135.82 157.85 45.83 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 120.884 0.373 . . . . 0.0 110.512 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.58 106.05 16.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.44 0.638 . . . . 0.0 109.838 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.3 p -74.16 128.35 35.31 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.832 -177.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.7 t70 68.53 1.27 2.9 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 123.705 0.628 . . . . 0.0 110.346 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.6 t70 65.11 30.78 11.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.208 -175.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -133.15 -50.84 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 114.535 -1.212 . . . . 0.0 112.721 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -107.16 161.92 14.33 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -109.23 120.19 41.78 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.678 0.275 . . . . 0.0 111.016 -173.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -100.81 123.22 44.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.835 0.35 . . . . 0.0 110.664 176.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.432 HG11 HD22 ' A' ' 27' ' ' LEU . 54.6 t -89.1 122.79 40.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 174.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.82 -31.5 5.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.767 0.318 . . . . 0.0 111.401 -177.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.443 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -134.62 160.22 38.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.859 0.361 . . . . 0.0 111.161 -177.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.9 mt -126.39 138.36 53.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.259 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 48.5 t60 -119.07 126.99 52.96 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 174.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.7 mtt-85 -85.47 137.28 33.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.295 -177.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.53 123.74 30.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.517 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.4 t -171.65 148.83 2.5 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.778 -177.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.44 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 3.8 p-10 -85.36 135.32 33.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.639 -176.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 47' ' ' ASN . 23.3 mtt85 -161.54 123.45 2.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.49 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -74.61 95.63 2.85 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 174.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.7 m -116.42 38.67 3.34 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -168.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -70.85 91.82 0.87 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 173.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -126.3 13.38 7.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.289 -174.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.6 ttt180 -141.17 142.69 34.01 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 177.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.2 p -73.11 117.45 14.86 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.672 -177.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 67.66 -178.1 0.21 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.313 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.435 ' HA ' ' HE ' ' A' ' 56' ' ' ARG . 3.1 tpm_? 72.96 21.46 3.25 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.546 -178.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -120.95 155.95 33.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.464 -175.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -122.88 -82.39 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 172.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.91 133.15 35.41 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 174.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.6 t -86.95 34.18 0.67 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.968 0.413 . . . . 0.0 111.506 -174.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.03 -3.81 12.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.752 0.31 . . . . 0.0 111.78 -178.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.486 ' OD1' ' HG3' ' A' ' 65' ' ' ARG . 11.7 t70 -88.83 124.0 33.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.838 0.352 . . . . 0.0 110.236 -178.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -76.0 -36.79 59.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.667 -173.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -69.39 -46.0 67.93 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.739 -178.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.486 ' HG3' ' OD1' ' A' ' 62' ' ' ASP . 39.0 mtp180 -57.31 -39.13 75.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.881 0.372 . . . . 0.0 111.194 -177.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.69 -36.09 83.16 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.216 176.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.38 -41.02 77.07 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.024 0.44 . . . . 0.0 110.382 176.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.1 -38.1 81.94 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.265 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.44 -42.04 99.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.926 177.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.428 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . . . -63.78 -32.65 74.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.904 179.046 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.618 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -64.68 -48.81 73.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.864 175.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -60.44 -36.75 78.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.812 178.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.428 ' OE1' ' HA ' ' A' ' 70' ' ' ALA . 42.0 mt-10 -54.17 -43.36 70.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.387 0.613 . . . . 0.0 111.033 175.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -95.42 2.83 54.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.093 -0.958 . . . . 0.0 112.232 -174.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.68 27.9 73.52 Favored Glycine 0 CA--C 1.517 0.194 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.146 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.3 mt -116.88 -174.46 2.58 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -142.54 172.69 12.35 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 172.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.9 t -83.94 107.29 15.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 -176.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.4 m -96.28 -4.87 10.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.523 -176.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.401 ' HA3' HD12 ' A' ' 27' ' ' LEU . . . 178.27 -175.92 47.71 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.616 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.3 t -140.6 154.19 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.458 ' HB3' ' HB ' ' A' ' 108' ' ' VAL . 53.7 p90 -133.83 136.49 44.46 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.026 0.441 . . . . 0.0 109.886 175.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -142.54 133.97 26.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.696 -176.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.2 m -106.48 128.66 54.25 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.548 -176.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.476 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 3.3 p-80 -125.24 144.59 47.95 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.141 177.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 2.7 Cg_exo -76.14 157.85 37.9 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.829 2.353 . . . . 0.0 111.415 175.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.2 t70 71.21 152.24 0.11 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.906 0.754 . . . . 0.0 111.403 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.441 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 36.5 m80 67.44 143.13 0.08 OUTLIER Pre-proline 0 N--CA 1.468 0.455 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.149 -174.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 88' ' ' HIS . 5.9 Cg_exo -78.84 78.02 3.86 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.814 2.342 . . . . 0.0 111.473 178.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.546 ' H ' ' HB2' ' A' ' 111' ' ' SER . . . 61.13 -154.49 0.36 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.069 -177.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.434 ' HG2' ' CZ2' ' A' ' 123' ' ' TRP . 44.4 mtm180 65.5 148.06 0.11 Allowed Pre-proline 0 C--O 1.236 0.354 0 O-C-N 123.622 0.577 . . . . 0.0 111.89 -179.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -62.67 124.83 14.83 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.376 2.051 . . . . 0.0 112.0 178.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.405 ' H ' ' HB3' ' A' ' 96' ' ' ASP . 21.8 m -85.25 177.82 7.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.674 176.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.23 -49.28 77.75 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -172.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.5 m -79.92 -33.33 39.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.48 0.657 . . . . 0.0 109.89 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.405 ' HB3' ' H ' ' A' ' 93' ' ' SER . 18.7 t70 -60.25 -42.28 94.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.165 178.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.749 ' HG ' ' HE1' ' A' ' 132' ' ' PHE . 6.2 tt -70.23 -42.09 72.7 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.499 177.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -58.39 -39.57 80.02 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -175.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -92.65 8.37 39.38 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -174.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.64 74.61 10.24 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.384 0.612 . . . . 0.0 109.41 172.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.93 19.32 20.72 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.936 -171.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -119.76 86.82 36.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.842 0.353 . . . . 0.0 111.679 -177.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -65.34 156.55 62.62 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.939 2.426 . . . . 0.0 111.882 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.97 -28.76 13.75 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.651 -177.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -90.54 143.95 26.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.899 0.38 . . . . 0.0 110.614 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.5 m -92.01 132.19 36.73 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 175.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -106.44 119.69 39.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.022 0.439 . . . . 0.0 111.449 -174.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.476 HG23 HD11 ' A' ' 27' ' ' LEU . 58.5 t -96.05 121.66 46.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.64 173.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.4 mm -110.23 118.43 57.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.764 -178.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 4.0 p -132.8 128.74 57.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.278 178.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.546 ' HB2' ' H ' ' A' ' 90' ' ' ALA . 21.5 t -88.97 107.51 19.06 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.944 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.475 ' HA ' ' HA ' ' A' ' 117' ' ' PRO . 40.1 t -105.36 116.26 48.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 177.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.444 ' C ' ' H ' ' A' ' 115' ' ' GLY . 56.0 mtp180 -125.33 120.02 29.99 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.202 -171.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 113' ' ' ARG . 22.8 t70 72.08 -16.67 0.4 Allowed 'General case' 0 N--CA 1.472 0.664 0 O-C-N 123.845 0.716 . . . . 0.0 111.688 179.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.444 ' H ' ' C ' ' A' ' 113' ' ' ARG . . . 138.7 -11.98 3.43 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -177.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.435 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . . . -107.28 119.92 49.37 Favored Pre-proline 0 N--CA 1.453 -0.277 0 CA-C-O 120.727 0.299 . . . . 0.0 111.334 -178.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 112' ' ' VAL . 4.4 Cg_exo -77.85 113.37 3.45 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 123.224 2.616 . . . . 0.0 111.216 173.131 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -83.31 -69.19 0.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.892 0.377 . . . . 0.0 111.381 -176.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' A' ' 90' ' ' ALA . . . -109.52 128.91 55.53 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.503 -175.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.66 124.4 50.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.398 175.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 28.2 p -138.07 137.83 38.17 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 -176.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -110.11 133.74 52.9 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.488 ' CZ3' ' HB2' ' A' ' 134' ' ' ARG . 60.3 m95 -133.04 140.62 47.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.814 -174.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.63 133.45 49.46 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 172.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 65.4 tp -85.06 140.71 30.79 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.698 -176.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.15 142.04 92.38 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 173.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -51.83 -40.57 65.87 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.881 2.387 . . . . 0.0 112.545 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -86.53 1.26 52.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.796 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 12.7 mtm180 61.24 30.43 19.2 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.856 -178.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.6 m -63.95 -43.99 94.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.241 177.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.08 -173.61 3.5 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.947 -177.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.749 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 59.9 m-85 -114.75 145.43 42.1 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.526 172.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -122.59 124.59 43.85 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.399 0.619 . . . . 0.0 110.071 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.488 ' HB2' ' CZ3' ' A' ' 123' ' ' TRP . 11.6 tpt180 -73.77 139.57 45.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.501 -1.227 . . . . 0.0 111.474 -174.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -131.24 156.27 45.68 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 175.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -96.93 165.72 11.96 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -178.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.575 HG21 HD11 ' A' ' 8' ' ' LEU . 47.2 mm -84.45 113.24 22.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.033 0.444 . . . . 0.0 110.99 -174.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 14.2 m -115.14 141.85 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.243 175.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -85.55 157.54 58.22 Favored Pre-proline 0 N--CA 1.442 -0.861 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.405 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 3' ' ' THR . 45.9 Cg_exo -55.07 115.34 2.37 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.135 1.89 . . . . 0.0 111.027 174.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -45.49 128.44 6.28 Favored Pre-proline 0 N--CA 1.461 0.12 0 O-C-N 123.823 0.702 . . . . 0.0 109.968 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -13.73 71.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.358 1.031 1 C-N-CA 126.489 4.793 . . . . 0.0 116.158 -164.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 46.76 36.41 3.81 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.802 178.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -76.9 116.91 61.16 Favored Pre-proline 0 C--N 1.31 -1.11 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.0 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -89.59 -170.92 0.47 Allowed 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 122.922 2.415 . . . . 0.0 111.697 177.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 146' ' ' LEU . 4.7 mp -81.5 104.33 11.85 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 176.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -60.34 -56.21 24.25 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.433 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -92.69 97.29 10.69 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 171.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -86.11 22.32 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.564 -172.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -81.75 29.88 0.38 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.289 0.566 . . . . 0.0 111.415 -174.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -102.77 4.67 38.19 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 170.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.49 149.02 16.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.344 -1.298 . . . . 0.0 108.54 178.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 72.0 t60 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.575 -0.726 . . . . 0.0 110.224 -179.234 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.534 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 16.7 ttt . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.774 0.321 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -101.23 136.46 41.04 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 174.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.0 t -157.72 173.4 16.88 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 175.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.7 p -112.7 154.06 44.87 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.778 0.323 . . . . 0.0 110.927 -176.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.52 ' HA ' HD12 ' A' ' 8' ' ' LEU . 13.0 Cg_endo -57.4 -29.59 84.94 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.059 2.506 . . . . 0.0 112.165 178.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -60.63 -43.14 97.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.253 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.462 ' O ' HG13 ' A' ' 11' ' ' ILE . 49.5 mm -68.22 -43.41 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.393 176.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.66 HD11 HG21 ' A' ' 137' ' ' ILE . 85.4 mt -56.08 -42.25 76.43 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.119 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.685 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 27.2 t70 -67.64 -42.47 82.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.32 -179.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -58.56 -30.86 67.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.225 176.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 7' ' ' ILE . 70.5 mt -71.88 -50.27 39.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.815 0.34 . . . . 0.0 110.768 175.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.685 ' HG2' ' HA ' ' A' ' 9' ' ' ASP . 5.9 ptp180 -66.19 -37.04 84.65 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.947 -174.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 9' ' ' ASP . 70.6 t -64.36 -49.0 82.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-O 120.743 0.306 . . . . 0.0 110.737 -178.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -67.35 -28.86 68.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.615 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.63 -42.55 87.69 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.417 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.25 -34.44 65.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.128 0.489 . . . . 0.0 110.414 178.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -63.71 -37.37 87.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.694 176.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.44 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -107.41 48.72 0.83 Allowed 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.493 -178.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.74 ' CE2' ' HA ' ' A' ' 114' ' ' ASP . 67.1 t80 -90.64 142.0 27.55 Favored Pre-proline 0 C--N 1.326 -0.413 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 177.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.681 ' HA ' ' CD1' ' A' ' 19' ' ' TYR . 84.2 Cg_endo -83.97 -12.6 39.9 Favored 'Cis proline' 0 C--N 1.349 0.591 0 C-N-CA 123.751 -1.354 . . . . 0.0 113.548 2.321 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.481 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 7.8 pt-20 -168.82 114.79 0.61 Allowed 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.138 0.494 . . . . 0.0 111.536 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 28.2 mm-40 -168.35 8.04 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.07 174.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -146.66 39.23 1.1 Allowed Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 119.734 -1.222 . . . . 0.0 114.142 -171.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.0 p -83.8 -175.72 5.94 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 172.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.488 ' HA2' ' HB2' ' A' ' 45' ' ' ALA . . . 161.75 -162.62 34.16 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 119.69 -1.243 . . . . 0.0 113.391 177.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -112.1 160.06 17.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.894 0.378 . . . . 0.0 110.868 -175.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.0 mt -100.76 119.87 39.27 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.202 178.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.5 mt -104.87 134.2 48.39 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.79 -159.13 21.12 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 120.193 -1.003 . . . . 0.0 111.947 -177.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.475 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 0.7 OUTLIER -136.07 161.15 36.49 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 120.909 0.385 . . . . 0.0 110.631 -179.359 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.6 t -88.09 106.85 16.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 174.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.405 ' HB ' ' HD2' ' A' ' 38' ' ' ARG . 7.2 t -91.34 -40.26 11.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.274 -163.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -74.09 -11.43 60.31 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.694 0.759 . . . . 0.0 109.192 173.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.4 t70 70.46 9.7 7.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 113.721 -1.582 . . . . 0.0 108.713 -171.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -136.82 -24.45 0.47 Allowed Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 114.09 -1.413 . . . . 0.0 111.758 176.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -131.47 154.64 48.51 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.534 ' O ' ' HA ' ' A' ' 1' ' ' MET . 9.2 p30 -94.08 147.94 22.65 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 121.524 0.678 . . . . 0.0 112.232 -170.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.475 ' HG2' ' O ' ' A' ' 30' ' ' THR . 5.2 ptm180 -116.14 146.13 42.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.255 171.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 82.0 t -103.59 119.72 52.61 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.57 -33.57 3.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.464 -175.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.72 133.86 51.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.164 0.507 . . . . 0.0 111.407 -176.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.2 mt -98.82 150.23 22.07 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.096 176.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -146.85 137.57 23.84 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 174.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -91.87 138.05 31.86 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.093 -175.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.488 ' HB2' ' HA2' ' A' ' 25' ' ' GLY . . . -64.48 120.94 13.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.042 0.449 . . . . 0.0 110.668 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.7 t -162.56 150.3 13.94 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.296 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -166.98 -45.86 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.615 -176.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 62.85 27.41 16.01 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.362 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? 73.83 -48.37 0.67 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 114.816 -1.084 . . . . 0.0 113.208 173.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.3 t 59.33 34.24 22.8 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 -173.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -60.55 -53.33 58.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 114.547 -1.206 . . . . 0.0 112.119 -170.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -98.66 144.13 28.28 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.779 0.323 . . . . 0.0 110.313 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -156.96 139.82 15.23 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.589 -177.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.0 m -66.55 -63.59 1.04 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -175.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -107.67 142.17 38.04 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 176.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 70.87 137.69 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.851 0.72 . . . . 0.0 110.409 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -103.17 -35.8 8.35 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 122.261 -0.274 . . . . 0.0 110.907 -177.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 64.92 -168.58 0.21 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.259 -178.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 60' ' ' THR . 2.9 pp -174.96 -30.78 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.976 -1.011 . . . . 0.0 108.726 176.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.554 ' N ' HD12 ' A' ' 59' ' ' LEU . 1.0 OUTLIER -94.56 67.06 3.33 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.247 172.308 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -121.18 19.16 11.54 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.63 178.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -65.72 165.92 11.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.777 -1.102 . . . . 0.0 111.307 -176.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -53.81 -37.61 63.71 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.158 0.504 . . . . 0.0 109.991 177.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -55.54 -43.01 75.41 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.57 178.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -35.77 81.85 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.899 -178.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.3 -44.42 87.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.861 0.362 . . . . 0.0 110.902 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.04 -35.45 76.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.083 175.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.19 -44.2 92.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.793 177.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.29 -47.8 82.52 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.423 176.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.65 -34.96 76.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.76 178.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.69 -51.62 67.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.835 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -64.82 -35.1 80.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.665 0.269 . . . . 0.0 111.09 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -62.24 -40.87 97.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.183 0.516 . . . . 0.0 111.94 176.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -83.27 -25.39 31.65 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.644 -177.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.33 30.14 11.32 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -173.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 71.7 mt -123.67 -173.85 2.84 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -176.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -141.11 171.8 13.56 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 171.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.0 t -85.23 107.96 16.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.943 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 35.3 m -93.71 -10.07 9.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.687 -173.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.467 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . 173.62 -168.8 41.8 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 119.795 -1.193 . . . . 0.0 113.15 179.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.5 t -137.52 156.68 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.411 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 53.2 p90 -131.66 137.2 48.23 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.4 0.619 . . . . 0.0 111.045 176.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.8 m170 -118.56 151.61 37.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.481 -178.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.8 p -104.96 130.97 53.03 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.853 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.469 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 0.7 OUTLIER -120.77 147.0 44.92 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.707 -179.388 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 85' ' ' HIS . 2.7 Cg_exo -76.99 -162.45 0.17 Allowed 'Trans proline' 0 CA--C 1.531 0.332 0 C-N-CA 123.881 3.054 . . . . 0.0 113.174 -178.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.457 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 26.1 t70 -46.51 157.08 0.15 Allowed 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.219 1.008 . . . . 0.0 112.245 -179.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.459 ' HB3' ' HD2' ' A' ' 89' ' ' PRO . 41.0 m80 69.1 157.74 0.15 Allowed Pre-proline 0 N--CA 1.474 0.75 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.863 -170.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.459 ' HD2' ' HB3' ' A' ' 88' ' ' HIS . 19.7 Cg_endo -59.36 125.83 19.09 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.161 2.574 . . . . 0.0 112.587 -175.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.485 ' HB1' HG22 ' A' ' 109' ' ' ILE . . . -75.87 97.03 3.82 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.614 -174.447 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -110.08 146.44 34.19 Favored Pre-proline 0 C--N 1.318 -0.796 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 164.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -56.17 128.75 31.45 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.698 2.265 . . . . 0.0 113.342 -173.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.9 m -79.28 -179.19 6.61 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.702 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.6 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -60.87 -47.62 85.56 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.702 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 89.4 m -62.76 -31.93 72.97 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.699 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -57.24 -45.0 84.35 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.127 0.489 . . . . 0.0 109.924 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.41 ' O ' HD13 ' A' ' 97' ' ' LEU . 1.6 tm? -70.05 -43.84 70.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.164 177.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.6 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 47.0 mt-10 -52.56 -40.39 62.52 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.424 -174.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -100.73 6.18 43.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.009 0.433 . . . . 0.0 111.171 -174.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.44 65.57 9.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.253 0.549 . . . . 0.0 110.765 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.552 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 1.2 m -99.21 26.71 5.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.431 -179.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.408 ' HB3' ' CD1' ' A' ' 105' ' ' PHE . 80.8 m-85 -111.44 87.08 7.32 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.052 -178.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.552 ' HD3' ' O ' ' A' ' 101' ' ' THR . 7.8 Cg_exo -72.48 124.01 9.54 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 122.632 2.221 . . . . 0.0 112.078 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 101.76 12.95 33.46 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.002 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.467 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 19.3 m-85 -112.15 148.1 34.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.802 0.334 . . . . 0.0 110.518 179.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 21.7 m -95.85 129.97 42.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.001 176.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -106.37 111.45 24.04 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.848 0.356 . . . . 0.0 110.864 -177.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 82' ' ' TYR . 60.0 t -99.06 124.71 52.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.009 0.433 . . . . 0.0 110.145 177.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.485 HG22 ' HB1' ' A' ' 90' ' ' ALA . 53.1 mt -120.26 121.69 66.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.83 178.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.523 HG23 ' HG ' ' A' ' 120' ' ' LEU . 7.2 p -103.68 134.42 44.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.453 0.644 . . . . 0.0 110.924 -177.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.6 m -85.84 106.82 17.34 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.035 178.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.1 t -113.43 114.8 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.057 0.456 . . . . 0.0 110.142 178.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.473 HH11 ' HD3' ' A' ' 113' ' ' ARG . 1.0 OUTLIER -98.75 90.01 4.54 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.366 -179.137 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.74 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 17.4 t70 56.32 28.67 13.75 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.59 175.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.406 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 114.66 -7.92 22.12 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.54 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -106.8 101.57 37.6 Favored Pre-proline 0 C--N 1.322 -0.629 0 O-C-N 122.787 -0.243 . . . . 0.0 110.639 176.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 5.5 Cg_exo -76.98 110.15 2.98 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 123.03 2.487 . . . . 0.0 111.227 177.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -92.92 -68.55 0.79 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.029 0.442 . . . . 0.0 111.471 -174.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -115.74 142.1 47.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.334 -174.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.523 ' HG ' HG23 ' A' ' 110' ' ' VAL . 6.6 mp -114.32 122.57 47.11 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.393 -0.821 . . . . 0.0 108.949 174.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 49.9 p -119.62 135.54 54.76 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.628 -175.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.79 138.47 46.11 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 121.153 0.501 . . . . 0.0 110.035 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.444 ' HB3' ' HB3' ' A' ' 132' ' ' PHE . 77.0 m95 -131.31 139.13 49.5 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.703 -175.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.3 132.95 49.99 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.57 174.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 60.1 tp -80.48 131.97 35.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.687 -177.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.35 143.33 98.71 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.799 175.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_exo -52.28 -39.57 72.01 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.953 2.435 . . . . 0.0 112.924 -177.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -92.11 10.29 29.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 -177.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 60.55 24.42 14.1 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.099 0.476 . . . . 0.0 110.677 -177.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.2 m -63.26 -38.35 90.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.846 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -171.74 -175.53 1.57 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.436 -175.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.444 ' HB3' ' HB3' ' A' ' 123' ' ' TRP . 63.2 m-85 -106.75 156.61 18.47 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 170.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -121.09 137.31 54.72 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 22.4 tpt85 -81.94 135.91 35.35 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 114.622 -1.172 . . . . 0.0 111.386 -172.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -146.8 155.99 42.78 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 114.741 -1.118 . . . . 0.0 108.913 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -106.77 171.44 7.36 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.66 HG21 HD11 ' A' ' 8' ' ' LEU . 50.4 mm -83.91 119.71 33.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.021 0.439 . . . . 0.0 111.043 -174.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 11.8 m -109.49 144.67 17.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.421 177.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -91.19 157.22 43.08 Favored Pre-proline 0 C--N 1.318 -0.803 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.122 -179.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -67.14 86.02 0.32 Allowed 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.201 1.934 . . . . 0.0 112.592 178.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -138.32 79.83 29.69 Favored Pre-proline 0 C--N 1.318 -0.798 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.973 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -82.93 39.75 0.87 Allowed 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 123.347 2.698 . . . . 0.0 112.343 -176.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -108.82 -10.21 15.14 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.122 -177.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.44 ' HA ' ' HD3' ' A' ' 145' ' ' PRO . . . -77.54 140.15 63.94 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.504 178.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 144' ' ' ALA . 35.3 Cg_exo -58.26 149.68 71.54 Favored 'Trans proline' 0 C--O 1.236 0.388 0 C-N-CA 122.936 2.424 . . . . 0.0 112.243 178.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.52 150.62 43.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.362 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -58.77 -64.04 1.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.575 0.547 . . . . 0.0 111.374 -176.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 16.6 m80 54.11 75.2 0.29 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.756 -174.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.09 99.96 0.4 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.415 -178.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -96.11 -8.95 31.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.358 -178.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -119.8 101.74 8.1 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.025 0.441 . . . . 0.0 111.306 177.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 36.6 t60 -76.85 -27.41 55.07 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.329 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.452 -0.785 . . . . 0.0 109.902 179.584 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.638 ' HA ' ' O ' ' A' ' 36' ' ' ASP . 20.8 ttt . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 120.686 0.279 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -100.5 122.14 42.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.393 176.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.534 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 9.7 t -158.64 167.01 30.69 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.827 175.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.424 ' OG1' HG12 ' A' ' 7' ' ' ILE . 17.2 p -98.85 153.84 37.66 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 120.838 0.351 . . . . 0.0 111.318 -176.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -54.53 -31.94 71.76 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.0 2.466 . . . . 0.0 111.937 174.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -61.75 -46.71 88.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.6 176.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.519 ' O ' HG13 ' A' ' 11' ' ' ILE . 44.9 mm -63.35 -44.46 99.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.22 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.28 -40.89 83.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.778 177.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -67.28 -43.55 81.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.401 178.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -56.6 -36.59 69.57 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.435 176.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 7' ' ' ILE . 81.3 mt -58.55 -47.0 89.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.084 0.469 . . . . 0.0 110.125 176.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.1 mtm180 -65.13 -46.78 79.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.123 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.0 t -69.03 -48.08 71.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.606 -176.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.24 -28.65 68.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.58 0.229 . . . . 0.0 110.951 -176.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.25 -43.49 98.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.509 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.496 ' HB1' ' HA2' ' A' ' 115' ' ' GLY . . . -73.24 -29.09 62.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.122 0.487 . . . . 0.0 110.491 177.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.86 -37.64 87.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.003 178.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.66 -38.95 80.82 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.677 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.769 ' HE2' ' HB ' ' A' ' 112' ' ' VAL . 23.1 m-30 -69.6 156.11 92.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.876 -176.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.468 ' HA ' ' HB3' ' A' ' 19' ' ' TYR . 2.8 Cg_exo -76.54 -3.14 25.32 Favored 'Cis proline' 0 C--N 1.347 0.456 0 C-N-CA 124.485 -1.048 . . . . 0.0 113.243 4.176 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -73.92 -173.19 1.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.264 177.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.81 -175.22 3.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.674 0.273 . . . . 0.0 111.049 178.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.99 91.79 1.62 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.47 -175.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.4 m -78.96 -163.8 0.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.695 0.283 . . . . 0.0 111.147 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -153.54 -171.81 21.08 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.346 -0.93 . . . . 0.0 112.711 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.441 ' HB3' HG13 ' A' ' 78' ' ' VAL . 94.9 m-85 -114.28 161.4 17.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.683 0.278 . . . . 0.0 110.808 -177.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.662 HD11 HG23 ' A' ' 108' ' ' VAL . 86.4 mt -94.51 122.63 37.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.72 178.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.612 HD22 ' HB2' ' A' ' 71' ' ' ALA . 58.3 mt -104.44 131.69 51.52 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.933 0.397 . . . . 0.0 110.183 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.552 ' HA2' HD13 ' A' ' 76' ' ' LEU . . . 175.34 -145.48 7.81 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 120.389 -0.91 . . . . 0.0 111.948 -179.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -135.98 152.29 50.8 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.701 0.286 . . . . 0.0 111.412 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.7 t -89.97 123.03 41.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 176.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -114.24 119.17 36.13 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -175.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.9 t70 56.71 -85.85 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 114.147 -1.388 . . . . 0.0 113.61 166.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -88.22 -20.64 25.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.017 0.437 . . . . 0.0 111.358 -174.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.2 22.69 7.04 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.44 -0.886 . . . . 0.0 111.044 -174.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.638 ' O ' ' HA ' ' A' ' 1' ' ' MET . 25.6 t70 -66.12 -35.95 81.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.478 0.656 . . . . 0.0 109.677 176.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 75.32 130.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.314 -1.312 . . . . 0.0 112.962 173.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 38' ' ' ARG . 36.7 ttt180 -112.19 106.5 15.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.775 -1.102 . . . . 0.0 109.486 -179.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 76.4 t -98.88 115.67 39.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.193 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.43 2.9 10.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.993 -175.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.51 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -149.25 140.69 23.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.047 0.451 . . . . 0.0 111.583 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.0 mt -119.57 137.04 54.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.284 177.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -141.94 135.03 28.99 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.099 0.476 . . . . 0.0 110.2 177.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -79.57 138.65 37.54 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.93 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.59 95.79 1.13 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.173 0.511 . . . . 0.0 110.798 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.0 t -161.25 153.16 19.59 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.015 176.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -101.64 -85.01 0.43 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -175.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 61.86 104.53 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.326 0.584 . . . . 0.0 111.661 -176.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -143.22 -13.62 0.7 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -176.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.7 m 49.35 86.56 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.636 0.732 . . . . 0.0 112.178 -177.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -106.77 171.32 7.43 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.517 -173.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -162.38 -38.04 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.308 173.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -153.09 -85.22 0.07 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.178 174.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.9 m -107.13 101.39 10.8 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.524 -172.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -137.52 30.6 2.61 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 173.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 59.02 78.95 0.24 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.023 -169.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -73.29 141.36 47.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.403 -172.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -123.94 112.66 17.48 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.486 176.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.3 tp -52.34 -61.98 1.93 Allowed 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.083 -169.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.4 m -107.25 73.96 0.95 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.318 0.58 . . . . 0.0 110.441 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.581 ' HA ' ' HB2' ' A' ' 65' ' ' ARG . . . -119.82 78.85 1.37 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.09 177.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -112.71 -59.73 1.97 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.205 -176.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -115.68 -68.53 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.584 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -60.72 -52.41 65.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.647 -172.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.581 ' HB2' ' HA ' ' A' ' 61' ' ' ALA . 0.5 OUTLIER -58.43 -35.06 71.52 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -176.884 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.82 -39.22 80.14 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.959 0.409 . . . . 0.0 110.644 178.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.58 -36.93 76.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.925 174.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -59.95 -48.72 80.56 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.865 177.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.425 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -56.56 -52.74 63.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.763 178.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.73 -39.74 89.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.914 178.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.612 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -59.92 -49.54 77.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.657 178.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.91 -33.55 75.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.131 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 36.2 mm-40 -60.93 -43.47 98.58 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 175.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -76.89 -37.43 55.5 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 177.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.29 28.39 3.83 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 -177.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.552 HD13 ' HA2' ' A' ' 29' ' ' GLY . 61.6 mt -126.73 178.87 5.66 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -176.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -135.15 174.0 11.1 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 173.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.441 HG13 ' HB3' ' A' ' 26' ' ' PHE . 46.4 t -78.81 106.26 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.019 -179.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.6 m -101.15 -2.54 9.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.465 -176.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.498 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -179.94 -173.18 44.71 Favored Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 120.031 -1.081 . . . . 0.0 112.505 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.0 t -138.2 156.15 30.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -131.94 137.35 47.91 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.888 0.375 . . . . 0.0 110.255 176.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -130.7 132.76 45.56 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.249 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.54 ' HA ' ' O ' ' A' ' 110' ' ' VAL . 48.2 p -106.88 141.22 38.45 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.089 178.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -98.91 140.09 21.5 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 175.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -102.83 -4.13 0.28 Allowed 'Trans proline' 0 N--CA 1.455 -0.769 0 C-N-CA 123.224 2.616 . . . . 0.0 113.363 176.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -128.71 -65.67 0.87 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.08 -172.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -84.3 157.71 61.76 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.27 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.38 -164.14 0.13 Allowed 'Trans proline' 0 C--O 1.238 0.5 0 C-N-CA 123.161 2.574 . . . . 0.0 114.034 -173.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.21 -173.8 0.73 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.837 -178.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.488 ' HG3' ' CZ2' ' A' ' 123' ' ' TRP . 0.0 OUTLIER 66.16 144.65 0.09 OUTLIER Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.372 -173.234 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.63 137.63 27.92 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.579 2.186 . . . . 0.0 112.249 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 85.5 p -90.69 -178.48 5.29 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.972 178.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.559 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -58.12 -40.93 82.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.809 0.338 . . . . 0.0 110.358 174.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.431 ' HA ' ' OE1' ' A' ' 98' ' ' GLU . 4.6 m -64.73 -34.76 79.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -66.97 -40.26 87.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.007 0.432 . . . . 0.0 109.846 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.54 -40.69 97.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.62 175.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.559 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 51.3 mt-10 -57.42 -40.05 77.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.55 177.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -77.53 -18.41 57.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.348 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.63 93.59 6.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.121 0.486 . . . . 0.0 111.261 -177.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.1 m -123.93 18.42 9.32 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.762 0.791 . . . . 0.0 110.018 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.531 ' HB3' ' CD1' ' A' ' 105' ' ' PHE . 94.8 m-85 -117.62 87.2 25.33 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.944 177.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.506 ' HB3' ' HA ' ' A' ' 127' ' ' PRO . 16.4 Cg_exo -67.75 -5.55 14.63 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 123.042 2.495 . . . . 0.0 113.454 -174.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -114.36 19.96 16.55 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.091 178.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.531 ' CD1' ' HB3' ' A' ' 102' ' ' PHE . 7.7 m-85 -119.84 149.47 42.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.729 0.3 . . . . 0.0 110.663 -179.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.2 m -92.64 129.49 38.55 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -105.7 114.2 28.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.086 0.469 . . . . 0.0 111.068 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.662 HG23 HD11 ' A' ' 27' ' ' LEU . 99.5 t -96.25 120.43 45.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.13 177.148 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 49.0 mm -110.55 118.51 57.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.663 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.574 HG23 ' HB3' ' A' ' 120' ' ' LEU . 2.7 p -124.2 132.58 71.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.512 0.672 . . . . 0.0 111.035 -178.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.511 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 21.5 t -99.3 107.68 20.02 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.347 176.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.769 ' HB ' ' HE2' ' A' ' 19' ' ' TYR . 35.5 t -108.47 115.92 50.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -94.18 61.3 2.87 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -173.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 36.5 t70 54.97 82.36 0.1 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.165 -177.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.496 ' HA2' ' HB1' ' A' ' 16' ' ' ALA . . . 86.14 -30.99 4.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.639 179.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -101.48 106.06 43.83 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 120.898 0.38 . . . . 0.0 111.411 -178.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.459 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 14.7 Cg_exo -69.76 110.12 2.48 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.678 2.252 . . . . 0.0 111.795 178.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.511 ' HB3' ' HB3' ' A' ' 111' ' ' SER . 35.9 tt0 -70.3 -69.79 0.33 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.93 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -153.8 132.83 12.51 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.347 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.574 ' HB3' HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -119.76 139.7 51.89 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 174.271 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.7 m -149.76 156.8 42.45 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.875 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.5 133.4 53.13 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 176.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.488 ' CZ2' ' HG3' ' A' ' 91' ' ' ARG . 73.6 m95 -119.81 146.68 45.48 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.918 -174.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -104.08 126.99 51.63 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.203 175.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 103' ' ' PRO . 61.9 tp -81.09 135.25 35.79 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.56 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.55 125.37 79.43 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 172.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.506 ' HA ' ' HB3' ' A' ' 103' ' ' PRO . 12.4 Cg_endo -56.92 -21.87 43.19 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.841 2.361 . . . . 0.0 112.159 -178.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -83.04 -2.11 54.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.507 178.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 64.16 37.51 8.86 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.781 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.5 m -90.39 -52.24 5.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.29 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -163.41 -175.27 4.14 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.889 -175.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -105.62 149.58 26.19 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -128.21 150.66 49.93 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.913 0.387 . . . . 0.0 110.438 176.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -77.39 139.64 39.75 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.727 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -138.32 152.24 48.31 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 176.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -86.46 137.16 32.76 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.09 0.471 . . . . 0.0 111.259 -177.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 73.2 mt -86.02 115.43 27.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.806 177.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.5 155.63 13.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.744 -176.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.445 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 47.9 mtp180 -77.31 147.89 76.73 Favored Pre-proline 0 C--N 1.316 -0.852 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.308 177.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.534 ' HD3' ' O ' ' A' ' 3' ' ' THR . 33.5 Cg_exo -61.24 135.78 60.33 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.764 2.309 . . . . 0.0 111.753 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.13 121.3 70.98 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.752 -178.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -82.18 16.6 1.73 Allowed 'Trans proline' 0 CA--C 1.519 -0.258 0 C-N-CA 122.821 2.347 . . . . 0.0 113.603 -173.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -145.19 93.72 2.42 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 114.854 -1.066 . . . . 0.0 109.189 177.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.436 ' HA ' ' HD3' ' A' ' 145' ' ' PRO . . . -138.56 130.18 15.6 Favored Pre-proline 0 C--N 1.307 -1.257 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.392 -179.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 144' ' ' ALA . 11.5 Cg_exo -69.05 131.45 22.26 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.652 2.235 . . . . 0.0 111.4 176.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 84.0 mt -90.27 -46.44 8.41 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.245 -178.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -87.77 60.62 6.02 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-O 121.381 0.61 . . . . 0.0 111.042 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -62.89 138.54 58.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.432 175.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -77.52 74.19 4.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.646 0.736 . . . . 0.0 111.316 -173.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -160.66 64.08 0.31 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 173.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -79.18 76.63 5.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.148 -173.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -105.7 128.53 53.73 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.423 177.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 27.1 p80 . . . . . 0 C--O 1.247 0.943 0 CA-C-O 117.914 -1.041 . . . . 0.0 110.229 -179.862 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ttt . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.684 -0.117 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.536 ' HD2' ' OD2' ' A' ' 36' ' ' ASP . 0.5 OUTLIER -95.72 125.95 40.65 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 174.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.1 t -158.42 155.61 28.92 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.866 0.365 . . . . 0.0 110.367 175.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.7 p -82.84 154.91 68.08 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.063 -174.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.408 ' HD3' ' HG3' ' A' ' 139' ' ' ARG . 18.8 Cg_endo -60.6 -29.63 88.88 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.591 2.194 . . . . 0.0 111.013 177.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.538 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 21.3 t70 -61.8 -49.16 77.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.71 175.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.587 ' O ' HG13 ' A' ' 11' ' ' ILE . 38.7 mm -66.38 -42.42 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.311 178.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.651 HD21 HG21 ' A' ' 137' ' ' ILE . 77.1 mt -57.13 -43.75 82.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.008 176.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 13' ' ' VAL . 22.2 t70 -62.55 -43.99 97.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.152 178.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 70.4 mt-30 -60.85 -34.79 75.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.144 178.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 7' ' ' ILE . 66.4 mt -65.47 -41.26 90.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-O 120.866 0.365 . . . . 0.0 110.216 176.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -65.24 -49.55 69.22 Favored 'General case' 0 N--CA 1.435 -1.19 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.615 177.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 9' ' ' ASP . 66.6 t -58.21 -35.6 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.408 178.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.49 ' HE1' ' O ' ' A' ' 23' ' ' GLY . 31.6 t-80 -53.68 -29.95 41.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.522 178.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.7 -49.83 74.24 Favored Glycine 0 C--O 1.226 -0.35 0 C-N-CA 120.476 -0.869 . . . . 0.0 111.968 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.89 -40.57 54.17 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.209 0.528 . . . . 0.0 111.048 176.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -66.3 -38.6 88.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.423 -172.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' A' ' 21' ' ' GLU . . . -80.77 -38.2 28.97 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.627 -177.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -69.31 149.13 97.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.719 -174.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -79.83 -1.98 39.0 Favored 'Cis proline' 0 CA--C 1.533 0.469 0 C-N-CA 124.488 -1.047 . . . . 0.0 113.832 4.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.488 ' HB2' ' O ' ' A' ' 18' ' ' ALA . 7.9 mm-40 -65.69 -165.62 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.442 0 CA-C-O 121.043 0.449 . . . . 0.0 111.691 -178.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.485 ' O ' ' HB1' ' A' ' 18' ' ' ALA . 9.7 tp10 -58.29 129.73 43.37 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.186 0.517 . . . . 0.0 111.752 -175.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.49 ' O ' ' HE1' ' A' ' 14' ' ' HIS . . . -108.92 -3.25 31.92 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.161 -178.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 38.8 m -92.68 162.91 13.96 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.985 0.422 . . . . 0.0 110.685 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -179.76 -174.31 45.58 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.099 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -123.87 148.92 46.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.725 0.297 . . . . 0.0 110.604 -176.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.5 mt -94.92 120.62 35.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.902 178.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.538 HD22 ' HB2' ' A' ' 71' ' ' ALA . 72.8 mt -105.25 132.2 51.75 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.87 -154.24 10.54 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.083 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.03 159.98 40.02 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.583 HG12 ' HA ' ' A' ' 34' ' ' ASP . 25.9 t -98.46 117.58 43.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-O 121.398 0.618 . . . . 0.0 109.959 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.6 m -81.37 111.4 17.7 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.755 -175.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 t70 64.83 7.02 3.63 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.046 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.583 ' HA ' HG12 ' A' ' 31' ' ' VAL . 26.4 t70 65.13 17.5 11.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.2 -175.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.2 -42.89 2.91 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.537 177.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.536 ' OD2' ' HD2' ' A' ' 2' ' ' LYS . 42.3 t0 -145.96 158.26 43.87 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 31' ' ' VAL . 8.6 p30 -102.77 147.21 27.14 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.08 0.467 . . . . 0.0 110.992 -174.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -116.55 147.68 41.59 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.575 0.703 . . . . 0.0 110.213 174.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 55.7 t -97.61 131.21 45.04 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.25 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.155 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.18 -23.11 6.89 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.308 -177.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -153.1 145.23 23.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.873 0.368 . . . . 0.0 110.944 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.6 mt -101.25 131.96 47.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.813 177.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -118.4 122.22 42.26 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.687 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -89.76 139.82 30.19 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.871 176.041 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.458 ' HB3' ' HG2' ' A' ' 22' ' ' GLU . . . -64.91 105.07 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.015 0.436 . . . . 0.0 110.928 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.9 t -158.88 178.38 10.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.296 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -84.7 164.95 18.28 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.014 0.435 . . . . 0.0 110.907 -176.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -148.93 -67.09 0.22 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.639 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.766 ' HG3' HD12 ' A' ' 59' ' ' LEU . 39.9 ttm180 62.81 87.36 0.1 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.283 0.564 . . . . 0.0 110.498 -177.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.8 m -84.37 127.37 33.95 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.291 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.31 103.05 13.48 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -178.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -152.34 103.26 2.83 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.786 177.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -57.96 99.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.877 -178.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.787 HG22 ' H ' ' A' ' 55' ' ' ARG . 1.8 m -137.31 -168.25 2.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.739 -177.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.787 ' H ' HG22 ' A' ' 54' ' ' THR . 21.6 tpt180 -57.65 103.51 0.14 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.663 0.385 . . . . 0.0 111.564 178.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 63.88 149.54 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.349 1.06 . . . . 0.0 111.584 -177.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -92.41 114.87 27.53 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.298 0.571 . . . . 0.0 110.665 177.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -133.03 86.97 2.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.744 0.783 . . . . 0.0 109.633 174.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.766 HD12 ' HG3' ' A' ' 49' ' ' ARG . 2.1 pt? -116.96 11.87 14.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.079 -172.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 16.3 m -73.98 100.22 3.49 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.699 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.66 88.53 5.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -113.93 94.05 4.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.99 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 44.77 -87.23 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.406 1.082 . . . . 0.0 113.546 175.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -62.37 -43.44 98.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.135 -178.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.83 -35.75 81.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.434 179.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.96 -36.89 80.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.916 0.388 . . . . 0.0 110.773 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.22 -41.35 77.14 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 173.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -55.61 -48.87 74.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.485 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.443 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -59.71 -53.55 56.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.052 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.42 -32.62 74.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.824 0.345 . . . . 0.0 111.199 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.538 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -65.51 -51.43 60.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.842 178.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -65.71 -31.64 72.76 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 122.957 0.161 . . . . 0.0 110.864 -178.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 38.9 mt-10 -57.83 -43.63 85.92 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.071 0.462 . . . . 0.0 111.062 172.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -87.98 -9.45 53.49 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.784 -177.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.61 28.09 52.56 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.777 -177.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 64.7 mt -120.83 179.26 4.41 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -177.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -141.34 -179.87 6.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.786 0.327 . . . . 0.0 110.173 173.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.0 t -81.84 106.84 13.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.283 -178.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.1 m -93.45 -23.18 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.041 0.448 . . . . 0.0 111.121 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -165.59 177.28 40.9 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.13 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.2 t -135.54 156.66 38.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.427 ' HB3' ' HB ' ' A' ' 108' ' ' VAL . 53.8 p90 -140.06 139.15 35.85 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.257 0.551 . . . . 0.0 111.261 179.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -147.49 131.61 17.33 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.142 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.499 ' HB3' HG13 ' A' ' 110' ' ' VAL . 24.3 p -106.39 149.71 26.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.63 -173.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -162.11 143.82 8.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.291 173.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.511 ' HB3' ' O ' ' A' ' 112' ' ' VAL . 94.6 Cg_endo -92.18 69.65 0.8 Allowed 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 123.516 2.811 . . . . 0.0 113.37 -175.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 6.6 p-10 -160.84 154.72 22.56 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 177.134 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 87' ' ' ASP . 72.8 m80 66.56 157.28 0.13 Allowed Pre-proline 0 N--CA 1.468 0.461 0 O-C-N 123.898 0.749 . . . . 0.0 110.94 -174.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -73.17 74.09 3.09 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.593 2.195 . . . . 0.0 111.823 176.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 44.83 72.51 0.2 Allowed 'General case' 0 N--CA 1.465 0.301 0 O-C-N 124.1 0.875 . . . . 0.0 111.887 -179.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.533 ' HB2' ' HD2' ' A' ' 92' ' ' PRO . 19.3 ptp180 -162.88 161.76 18.82 Favored Pre-proline 0 N--CA 1.451 -0.415 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.179 -178.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.533 ' HD2' ' HB2' ' A' ' 91' ' ' ARG . 44.8 Cg_endo -69.17 146.37 63.62 Favored 'Trans proline' 0 C--O 1.238 0.5 0 C-N-CA 122.492 2.128 . . . . 0.0 112.932 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.0 m -97.48 -168.85 1.75 Allowed 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.06 173.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -65.26 -47.35 77.01 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.911 -0.315 . . . . 0.0 110.546 -179.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.3 m -60.96 -38.76 87.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.428 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -56.32 -45.29 80.38 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.295 0.569 . . . . 0.0 109.976 177.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.3 tt -70.49 -43.56 69.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.645 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 54.3 mt-10 -64.31 -26.29 68.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.104 -174.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -95.26 4.39 53.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.757 0.313 . . . . 0.0 111.373 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -92.71 68.41 4.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.414 0.626 . . . . 0.0 110.55 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.75 4.88 53.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.072 -178.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -126.92 85.66 60.51 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.518 -175.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.69 161.16 47.04 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.613 2.208 . . . . 0.0 111.994 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.88 -19.64 52.46 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.728 -177.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -90.64 154.2 19.75 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 176.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 90.5 m -91.84 124.5 36.01 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.428 ' CE2' ' HB2' ' A' ' 125' ' ' LEU . 47.6 m-85 -97.97 108.93 21.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.987 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.427 ' HB ' ' HB3' ' A' ' 82' ' ' TYR . 61.6 t -101.44 120.77 51.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.083 0.468 . . . . 0.0 109.985 177.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.2 mt -119.45 125.71 74.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.741 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.793 ' HB ' HD23 ' A' ' 120' ' ' LEU . 4.1 p -118.55 131.17 72.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-O 121.138 0.494 . . . . 0.0 109.757 178.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.5 t -82.17 105.98 13.7 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.511 ' O ' ' HB3' ' A' ' 86' ' ' PRO . 60.5 t -110.58 114.8 48.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -95.62 59.31 2.09 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.445 0.641 . . . . 0.0 109.758 -173.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.3 t70 58.69 81.96 0.15 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 114.325 -1.307 . . . . 0.0 111.103 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.454 ' O ' ' HD3' ' A' ' 117' ' ' PRO . . . 87.84 -22.59 17.07 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.618 179.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -107.52 100.95 37.05 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-O 120.735 0.303 . . . . 0.0 111.624 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.454 ' HD3' ' O ' ' A' ' 115' ' ' GLY . 3.4 Cg_exo -75.53 115.53 4.24 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.84 2.36 . . . . 0.0 111.135 176.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -83.8 -72.5 0.46 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.214 -175.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -139.94 151.37 45.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.076 0.465 . . . . 0.0 111.773 -175.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.793 HD23 ' HB ' ' A' ' 110' ' ' VAL . 37.9 mt -101.56 129.73 47.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.939 175.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 20.9 p -131.55 131.68 43.54 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.763 0.316 . . . . 0.0 110.883 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.45 133.58 52.9 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 176.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.52 ' CZ3' ' HB2' ' A' ' 134' ' ' ARG . 61.2 m95 -126.79 139.88 52.78 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.339 -172.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -106.62 132.38 52.69 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.504 174.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.547 HD11 ' HA ' ' A' ' 129' ' ' ARG . 59.0 tp -80.68 137.56 36.32 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.437 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -67.57 150.16 97.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.801 174.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -52.25 -32.74 51.99 Favored 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 123.044 2.496 . . . . 0.0 113.7 -175.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.51 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 27.9 t70 -98.3 14.23 28.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.659 0.266 . . . . 0.0 110.919 -176.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.547 ' HA ' HD11 ' A' ' 125' ' ' LEU . 6.7 ptp180 51.24 29.41 4.9 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.439 1.096 . . . . 0.0 112.656 174.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.7 p -94.81 -26.61 16.15 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -178.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -153.84 169.18 24.03 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.044 0.45 . . . . 0.0 111.344 178.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -113.47 152.08 30.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.607 177.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -126.5 136.36 52.5 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 169.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.52 ' HB2' ' CZ3' ' A' ' 123' ' ' TRP . 9.9 ttt180 -75.57 146.08 40.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.24 0.543 . . . . 0.0 111.97 -172.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -128.74 154.76 46.03 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 176.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -98.39 148.17 23.96 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.964 0.411 . . . . 0.0 110.45 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.651 HG21 HD21 ' A' ' 8' ' ' LEU . 3.8 mp -84.25 128.71 38.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.925 -178.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.408 HG23 ' HG3' ' A' ' 2' ' ' LYS . 15.6 m -109.31 144.79 16.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.735 179.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 139' ' ' ARG . 4.4 mpt_? -83.37 133.39 47.46 Favored Pre-proline 0 N--CA 1.446 -0.653 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 176.188 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.02 158.39 47.92 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.475 2.117 . . . . 0.0 112.175 -175.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -54.35 131.72 61.97 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.243 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -74.01 41.88 0.69 Allowed 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.335 2.69 . . . . 0.0 113.946 -171.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -122.35 -25.56 4.79 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.041 175.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -85.13 148.66 50.9 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.277 -177.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.49 142.24 95.27 Favored 'Trans proline' 0 C--O 1.239 0.557 0 C-N-CA 122.803 2.335 . . . . 0.0 112.05 175.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 63.4 mt -70.34 -74.33 0.14 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.316 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -98.43 153.03 18.88 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 175.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 73.33 118.07 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.51 0.672 . . . . 0.0 112.185 178.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -85.85 -10.72 54.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.65 176.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -115.33 145.1 42.82 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 176.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -87.25 14.13 8.39 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -172.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 31.9 p80 -138.96 161.94 36.1 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 174.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 12.3 p80 . . . . . 0 C--O 1.244 0.804 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.338 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.429 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -96.97 118.77 34.12 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.893 0.378 . . . . 0.0 111.125 -177.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.442 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 10.9 t -160.15 173.16 16.2 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 175.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.466 ' OG1' HG12 ' A' ' 7' ' ' ILE . 37.7 p -94.1 148.18 34.71 Favored Pre-proline 0 C--N 1.321 -0.665 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.698 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.71 -25.84 80.35 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.97 2.446 . . . . 0.0 111.694 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.429 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 33.0 t70 -61.93 -42.5 99.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.481 176.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.549 ' O ' HG13 ' A' ' 11' ' ' ILE . 44.6 mm -61.86 -44.22 98.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.146 176.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.58 HD11 HG21 ' A' ' 137' ' ' ILE . 83.3 mt -56.29 -44.1 79.5 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.008 178.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -65.37 -43.85 89.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.305 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 46.7 mt-30 -61.38 -36.16 79.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.119 178.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.549 HG13 ' O ' ' A' ' 7' ' ' ILE . 80.1 mt -59.17 -45.43 92.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.751 0.31 . . . . 0.0 110.236 175.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.02 -49.17 78.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.764 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 65.3 t -63.34 -48.5 87.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 -178.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.539 ' HB3' ' HD3' ' A' ' 44' ' ' ARG . 18.7 m-70 -66.65 -27.83 67.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.345 -179.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.2 -43.16 81.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.876 176.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.04 -28.35 63.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.19 0.519 . . . . 0.0 110.237 176.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -65.55 -38.56 89.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.632 175.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.82 -42.0 91.13 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.992 -1.003 . . . . 0.0 111.108 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -63.96 151.54 89.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.741 178.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -78.93 -3.88 36.28 Favored 'Cis proline' 0 C--O 1.234 0.312 0 C-N-CA 124.071 -1.22 . . . . 0.0 113.309 2.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -68.96 -176.86 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.089 0.471 . . . . 0.0 111.142 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -81.33 143.68 32.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.331 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -122.64 -110.37 2.03 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.358 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.3 p 50.43 -173.51 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.302 1.041 . . . . 0.0 112.562 -177.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 145.65 -166.81 27.73 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.023 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -111.44 157.08 20.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.961 0.41 . . . . 0.0 111.384 -176.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.0 mt -99.66 128.83 45.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.088 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.539 HD22 ' HB2' ' A' ' 71' ' ' ALA . 84.1 mt -104.47 138.42 40.88 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.02 0.438 . . . . 0.0 110.609 -177.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.65 -149.89 8.45 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.507 ' HA ' ' OD1' ' A' ' 77' ' ' ASP . 0.7 OUTLIER -137.52 145.31 42.8 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 117.261 0.531 . . . . 0.0 111.464 175.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.5 t -90.8 124.02 43.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.318 176.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.9 p -72.87 173.84 8.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.109 0.48 . . . . 0.0 111.278 -174.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -84.88 -6.77 59.35 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.312 -176.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -100.59 -29.46 12.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.557 179.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.62 -2.35 4.51 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 119.999 -1.096 . . . . 0.0 112.958 178.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -78.32 154.57 30.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.001 0.429 . . . . 0.0 110.914 176.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.523 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 84.6 m-20 -115.48 123.77 49.4 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.135 -0.938 . . . . 0.0 108.851 176.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -115.76 139.6 50.01 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.717 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.8 t -105.67 123.12 59.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.403 -175.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.27 -25.11 7.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.804 -177.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.498 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . . . -144.02 163.46 33.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.807 0.336 . . . . 0.0 111.384 -176.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.1 mt -123.07 152.18 41.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.12 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -134.62 121.93 21.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.743 0.306 . . . . 0.0 110.289 176.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.539 ' HD3' ' HB3' ' A' ' 14' ' ' HIS . 76.1 mtm180 -109.07 132.12 54.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.714 176.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.92 103.76 0.62 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.225 0.536 . . . . 0.0 110.712 177.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.9 m -126.98 129.79 48.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.167 -175.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -164.03 152.67 13.38 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 174.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -139.56 75.65 1.52 Allowed 'General case' 0 C--N 1.32 -0.679 0 O-C-N 123.15 0.281 . . . . 0.0 110.337 176.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 49' ' ' ARG . 23.6 ttm180 59.18 28.37 17.65 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.543 0.687 . . . . 0.0 109.229 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.7 m -67.45 129.57 40.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.743 -171.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 69.62 158.72 0.17 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.497 177.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -101.89 104.17 14.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.264 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.54 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 4.5 tmt_? -79.88 76.91 6.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.661 0.743 . . . . 0.0 109.372 177.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.2 m -91.35 42.75 1.11 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.143 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.53 ' HD2' ' O ' ' A' ' 55' ' ' ARG . 1.5 tmm_? 61.93 31.8 18.03 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.859 0.838 . . . . 0.0 109.435 -174.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -103.39 162.85 12.67 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.296 176.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 27.1 p90 51.68 166.24 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.773 0 O-C-N 124.753 1.283 . . . . 0.0 113.783 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -116.11 -1.93 12.34 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.596 176.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.1 tt -79.14 85.95 4.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.641 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.4 p -100.08 -77.27 0.53 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.446 ' CB ' ' HB2' ' A' ' 65' ' ' ARG . . . 69.15 159.41 0.18 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.906 0.86 . . . . 0.0 112.68 175.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.85 -74.59 0.54 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.068 170.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.401 ' H ' ' H ' ' A' ' 64' ' ' TYR . 25.9 t70 -149.81 -28.86 0.24 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.686 170.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.401 ' H ' ' H ' ' A' ' 63' ' ' ASP . 94.2 t80 -56.27 -51.57 67.65 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.261 -177.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.446 ' HB2' ' CB ' ' A' ' 61' ' ' ALA . 46.1 mtp85 -61.25 -36.89 81.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.561 0.22 . . . . 0.0 111.493 -177.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.86 -44.13 73.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.739 0.304 . . . . 0.0 110.709 178.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.441 ' HB1' HD21 ' A' ' 28' ' ' LEU . . . -64.5 -39.53 93.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.208 176.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -61.76 -45.86 92.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.605 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.545 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -61.68 -53.31 57.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.625 178.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.91 -32.37 71.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.975 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.539 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -64.27 -51.68 62.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.184 176.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -36.6 78.56 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 123.234 0.334 . . . . 0.0 110.657 179.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 99.3 mt-10 -59.75 -39.33 84.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.22 176.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -93.17 -3.64 53.55 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.049 -178.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.59 23.13 60.8 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.462 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.0 mt -114.24 175.4 5.49 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 122.613 0.365 . . . . 0.0 110.025 -179.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.507 ' OD1' ' HA ' ' A' ' 30' ' ' THR . 5.1 p-10 -137.78 -175.07 3.96 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 174.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.7 t -98.05 107.99 21.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.796 0.332 . . . . 0.0 110.278 -178.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.523 ' HB ' ' HB3' ' A' ' 37' ' ' ASN . 29.6 m -93.41 -13.45 8.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.757 -176.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.415 ' HA2' ' HB3' ' A' ' 105' ' ' PHE . . . -178.79 -174.64 45.18 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 120.03 -1.081 . . . . 0.0 112.722 -179.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.1 t -136.8 154.78 32.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.51 ' OH ' ' HG2' ' A' ' 44' ' ' ARG . 18.6 p90 -127.28 136.29 51.76 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.066 176.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.406 ' HB2' HG12 ' A' ' 109' ' ' ILE . 57.8 m170 -110.88 143.56 41.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.701 -176.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.4 m -105.73 126.58 52.32 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -117.72 154.2 50.91 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.623 -179.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -74.78 -161.78 0.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 123.245 2.63 . . . . 0.0 110.758 170.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -49.14 -33.06 11.23 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 176.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -53.35 151.32 10.2 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.941 178.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -37.39 145.33 0.12 Allowed 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 124.867 3.712 . . . . 0.0 115.557 -174.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.11 7.04 29.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.526 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.91 148.1 34.17 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.248 175.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.45 122.97 12.56 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.843 2.362 . . . . 0.0 112.713 -177.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.3 t -88.69 -174.91 4.73 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.509 ' O ' ' HG3' ' A' ' 98' ' ' GLU . . . -57.75 -48.8 78.61 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -173.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.2 m -74.98 -33.65 61.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.113 0.482 . . . . 0.0 110.682 -177.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -62.94 -40.4 97.53 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.729 ' HG ' ' HE1' ' A' ' 132' ' ' PHE . 7.6 tt -69.24 -37.55 78.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.382 177.193 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 94' ' ' ALA . 37.9 mt-10 -60.63 -32.69 71.84 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -177.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -87.67 -6.73 58.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.802 0.334 . . . . 0.0 111.577 -178.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.0 76.77 10.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.5 0.667 . . . . 0.0 109.717 175.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.438 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 6.2 t -98.6 -13.41 20.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.036 -175.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -116.48 86.54 18.4 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.892 -176.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' A' ' 101' ' ' THR . 18.8 Cg_exo -65.3 172.83 7.06 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.951 2.434 . . . . 0.0 112.466 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 95.66 -35.18 4.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 111.576 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.415 ' HB3' ' HA2' ' A' ' 80' ' ' GLY . 35.8 m-85 -75.57 149.23 38.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.793 0.33 . . . . 0.0 110.117 175.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.7 m -92.04 123.34 35.33 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 177.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -100.55 115.43 30.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.931 0.396 . . . . 0.0 110.852 -177.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.469 ' O ' ' HA ' ' A' ' 82' ' ' TYR . 58.7 t -104.58 126.38 59.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.191 176.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.406 HG12 ' HB2' ' A' ' 83' ' ' HIS . 54.4 mt -122.78 131.42 73.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 120.741 0.305 . . . . 0.0 110.227 -178.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.0 p -127.15 128.28 70.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.32 0.581 . . . . 0.0 111.099 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.4 m -87.89 111.88 21.92 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.523 175.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.501 ' HA ' ' HA ' ' A' ' 117' ' ' PRO . 40.8 t -107.27 115.65 49.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.631 179.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -94.0 92.08 7.18 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.03 -177.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.5 t70 54.14 49.0 19.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.98 177.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 91.94 0.61 71.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.832 177.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -117.22 99.51 52.75 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.802 0.334 . . . . 0.0 110.944 177.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.501 ' HA ' ' HA ' ' A' ' 112' ' ' VAL . 14.1 Cg_exo -69.45 117.02 4.81 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.892 2.394 . . . . 0.0 111.318 178.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -100.64 -69.96 0.75 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.921 -177.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -102.23 121.92 43.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.895 -176.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.6 tt -120.45 121.35 38.31 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 175.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.0 m -136.67 157.04 47.7 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.913 0.387 . . . . 0.0 110.974 -175.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -122.3 139.02 54.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.192 0.52 . . . . 0.0 109.943 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -132.02 145.16 51.27 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.483 -172.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -108.75 132.35 54.05 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.654 173.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 67.2 tp -88.22 130.31 35.11 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.95 144.8 90.06 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.875 176.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.92 -30.06 84.45 Favored 'Trans proline' 0 N--CA 1.473 0.28 0 C-N-CA 122.79 2.327 . . . . 0.0 112.584 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -88.44 0.7 55.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.463 -179.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 57.14 29.94 17.46 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.404 -176.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 25.8 t -68.19 -46.17 71.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.978 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -165.21 -177.52 4.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.895 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.729 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 63.5 m-85 -106.59 146.3 30.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.838 176.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -124.11 136.72 54.42 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 174.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -57.36 138.68 54.63 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.12 -178.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -127.44 148.95 50.3 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 174.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -96.62 146.22 25.04 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.757 -177.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.58 HG21 HD11 ' A' ' 8' ' ' LEU . 4.1 mp -85.32 114.93 26.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 175.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 10.4 m -110.91 150.53 13.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.598 -178.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 46.9 mtt180 -84.38 152.39 60.89 Favored Pre-proline 0 C--N 1.315 -0.892 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.529 -177.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 3' ' ' THR . 45.7 Cg_exo -55.52 102.84 0.1 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.353 2.035 . . . . 0.0 112.567 178.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -111.92 87.51 8.71 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.525 174.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -87.4 22.94 0.85 Allowed 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 122.631 2.221 . . . . 0.0 112.711 -175.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -133.71 1.65 3.37 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.781 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -81.06 146.18 58.32 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.727 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -65.58 144.38 78.61 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.684 2.256 . . . . 0.0 112.63 178.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.588 ' H ' HD23 ' A' ' 146' ' ' LEU . 2.6 pt? -88.61 151.71 22.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.761 -178.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.487 ' OE1' ' HB2' ' A' ' 149' ' ' HIS . 0.4 OUTLIER -87.0 133.05 33.62 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 179.57 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -130.96 15.0 5.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.126 0.489 . . . . 0.0 111.173 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . 0.487 ' HB2' ' OE1' ' A' ' 147' ' ' GLU . 86.0 m-70 -83.37 139.67 32.87 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 121.724 -0.61 . . . . 0.0 109.866 175.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -139.23 136.96 35.53 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.93 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 29.1 p-80 -86.93 97.55 10.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.754 0.788 . . . . 0.0 111.087 -174.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -122.07 117.85 27.3 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.985 178.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 74.3 t60 . . . . . 0 C--O 1.245 0.84 0 CA-C-O 118.532 -0.747 . . . . 0.0 109.654 179.444 . . . . . . . . 0 0 . 1 stop_ save_